N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide

C26H39N7O2 — CID 170954618

IUPACN-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(/C=N/C(C(=O)N1CCCC1C(=O)NC(C)c1ccc(/C(N)=C(C)/C=C\N)cc1)C(C)C)=N/N
InChIInChI=1S/C26H39N7O2/c1-16(2)24(30-15-18(4)32-29)26(35)33-14-6-7-22(33)25(34)31-19(5)20-8-10-21(11-9-20)23(28)17(3)12-13-27/h8-13,15-16,19,22,24H,6-7,14,27-29H2,1-5H3,(H,31,34)/b13-12-,23-17-,30-15+,32-18-
InChIKeyDDVITPZLZWFUSV-SUJCZWERSA-N
MW481.65 g/mol
LogP2.45
Rot. Bonds9

About N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide

N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 170954618) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 g/mol. Its IUPAC name is N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID170954618
Molecular FormulaC26H39N7O2
Molecular Weight481.65 g/mol
Exact Mass481.32
IUPAC NameN-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(/C=N/C(C(=O)N1CCCC1C(=O)NC(C)c1ccc(/C(N)=C(C)/C=C\N)cc1)C(C)C)=N/N
InChIInChI=1S/C26H39N7O2/c1-16(2)24(30-15-18(4)32-29)26(35)33-14-6-7-22(33)25(34)31-19(5)20-8-10-21(11-9-20)23(28)17(3)12-13-27/h8-13,15-16,19,22,24H,6-7,14,27-29H2,1-5H3,(H,31,34)/b13-12-,23-17-,30-15+,32-18-
InChIKeyDDVITPZLZWFUSV-SUJCZWERSA-N
XLogP2.45
TPSA152.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1R)-1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]-2-hydroxyethyl]-1-[(2S)-2-(2-hydrazinylidenepropylideneamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 174309698
(2S)-1-[(2S)-2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]-N-[(1S)-1-[4-(1,3,5-triazin-2-yl)cyclohexa-1,5-dien-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 170954629
N-[1-[4-(2-chlorophenyl)phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylideneethylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 170955910
(2S)-N-[(1R)-1-[4-[(1E,3Z)-1,4-diamino-2-chlorobuta-1,3-dienyl]phenyl]-2-hydroxyethyl]-1-[(2S)-2-(ethenylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide
CID 174309778
ethane;2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methanol;N-[1-(4-pyrazin-2-ylphenyl)ethyl]formamide
CID 170955792
(2S)-1-[(Z,2R)-5-amino-3-oxo-2-propan-2-ylpent-4-enoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139577005
[(2Z)-2-hydrazinylidenepropylidene]-[3-methyl-1-oxo-1-[(2S)-2-[[(1S)-1-[4-(1,3,5-triazin-2-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]but-2-en-2-yl]azanium
CID 170954750
N-[1-(4-bromophenyl)ethyl]-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxamide
CID 55606366
(2S)-1-[(2S)-2-(4-tert-butyltriazol-1-yl)-3-methylbutanoyl]-N-[(1S)-1-(4-pyridin-4-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170955664
1-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 86922947
(2S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(2,6-difluorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166535247
(2R)-1-acetyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 51729148

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide (CID 170954618) is N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide is CC(/C=N/C(C(=O)N1CCCC1C(=O)NC(C)c1ccc(/C(N)=C(C)/C=C\N)cc1)C(C)C)=N/N.
What is the InChIKey of N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is DDVITPZLZWFUSV-SUJCZWERSA-N. The full InChI is InChI=1S/C26H39N7O2/c1-16(2)24(30-15-18(4)32-29)26(35)33-14-6-7-22(33)25(34)31-19(5)20-8-10-21(11-9-20)23(28)17(3)12-13-27/h8-13,15-16,19,22,24H,6-7,14,27-29H2,1-5H3,(H,31,34)/b13-12-,23-17-,30-15+,32-18-.
What are the key properties of N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide?
N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 481.65 g/mol, XLogP of 2.45, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(1Z,3Z)-1,4-diamino-2-methylbuta-1,3-dienyl]phenyl]ethyl]-1-[2-[[(2Z)-2-hydrazinylidenepropylidene]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170954618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).