N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide

C24H21N5O3 — CID 10180901

IUPACN-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
SMILESNC(=O)C(Cc1ccc(N=C(N)N)cc1)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H21N5O3/c25-22(31)20(11-13-5-8-15(9-6-13)28-24(26)27)29-23(32)14-7-10-17-16-3-1-2-4-18(16)21(30)19(17)12-14/h1-10,12,20H,11H2,(H2,25,31)(H,29,32)(H4,26,27,28)
InChIKeyULZDNVCNYPLPJV-UHFFFAOYSA-N
MW427.46 g/mol
LogP1.63
Rot. Bonds6

About N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide

N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide (PubChem CID 10180901) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
PubChem CID10180901
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide
SMILESNC(=O)C(Cc1ccc(N=C(N)N)cc1)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C24H21N5O3/c25-22(31)20(11-13-5-8-15(9-6-13)28-24(26)27)29-23(32)14-7-10-17-16-3-1-2-4-18(16)21(30)19(17)12-14/h1-10,12,20H,11H2,(H2,25,31)(H,29,32)(H4,26,27,28)
InChIKeyULZDNVCNYPLPJV-UHFFFAOYSA-N
XLogP1.63
TPSA153.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-phenylpropan-2-yl (2S)-5-amino-5-oxo-2-[(9-oxofluorene-2-carbonyl)amino]pentanoate
CID 69118085
N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide
CID 6723334
N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 171688977
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(methanesulfonamido)benzamide
CID 171697813
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 48731808
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
3-[4-(diaminomethylideneamino)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;7-phenylbicyclo[4.1.0]hepta-1,3,5-triene
CID 170328619
N-[(4-nitrophenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55900128
4-[[[(2S)-2-[[4-(diaminomethylideneamino)benzoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]methyl]-N,N-dimethylbenzamide;methanesulfonic acid
CID 88633328

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide?
The IUPAC name of N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide (CID 10180901) is N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide?
The canonical SMILES for N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide is NC(=O)C(Cc1ccc(N=C(N)N)cc1)NC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide?
The InChIKey is ULZDNVCNYPLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c25-22(31)20(11-13-5-8-15(9-6-13)28-24(26)27)29-23(32)14-7-10-17-16-3-1-2-4-18(16)21(30)19(17)12-14/h1-10,12,20H,11H2,(H2,25,31)(H,29,32)(H4,26,27,28).
What are the key properties of N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide?
N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-[4-(diaminomethylideneamino)phenyl]-1-oxopropan-2-yl]-9-oxofluorene-2-carboxamide is sourced from PubChem (CID 10180901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).