(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide

C17H28N8O2 — CID 154982312

IUPAC(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C(N)=C/N(N)CCCCN(N)/C=C(\N)C=O)cn1
InChIInChI=1S/C17H28N8O2/c1-13-4-5-14(8-22-13)9-23-17(27)16(19)11-25(21)7-3-2-6-24(20)10-15(18)12-26/h4-5,8,10-12H,2-3,6-7,9,18-21H2,1H3,(H,23,27)/b15-10-,16-11-
InChIKeySCDCOWIWHBLMIP-XCMCHEKJSA-N
MW376.47 g/mol
LogP-1.06
Rot. Bonds11

About (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide

(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide (PubChem CID 154982312) has the molecular formula C17H28N8O2 and a molecular weight of 376.47 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
PubChem CID154982312
Molecular FormulaC17H28N8O2
Molecular Weight376.47 g/mol
Exact Mass376.23
IUPAC Name(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
SMILESCc1ccc(CNC(=O)/C(N)=C/N(N)CCCCN(N)/C=C(\N)C=O)cn1
InChIInChI=1S/C17H28N8O2/c1-13-4-5-14(8-22-13)9-23-17(27)16(19)11-25(21)7-3-2-6-24(20)10-15(18)12-26/h4-5,8,10-12H,2-3,6-7,9,18-21H2,1H3,(H,23,27)/b15-10-,16-11-
InChIKeySCDCOWIWHBLMIP-XCMCHEKJSA-N
XLogP-1.06
TPSA169.62 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.47
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide with MolForge

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Related Compounds

benzyl N-[1-[4-[amino-[(Z)-2-amino-3-[(6-methyl-3-pyridinyl)methylamino]-3-oxoprop-1-enyl]amino]butyl]-2-oxo-4-pyridinyl]carbamate
CID 144993279
1-[4-[amino-[(E)-2-amino-2-(methylamino)ethenyl]amino]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 154982358
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
N,N-dimethyl-2-[(6-methyl-3-pyridinyl)methylamino]acetamide
CID 62995684
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
4-amino-N-[(6-methyl-3-pyridinyl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62997371
(2S)-4-amino-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719043
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide (CID 154982312) is (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide is Cc1ccc(CNC(=O)/C(N)=C/N(N)CCCCN(N)/C=C(\N)C=O)cn1.
What is the InChIKey of (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide?
The InChIKey is SCDCOWIWHBLMIP-XCMCHEKJSA-N. The full InChI is InChI=1S/C17H28N8O2/c1-13-4-5-14(8-22-13)9-23-17(27)16(19)11-25(21)7-3-2-6-24(20)10-15(18)12-26/h4-5,8,10-12H,2-3,6-7,9,18-21H2,1H3,(H,23,27)/b15-10-,16-11-.
What are the key properties of (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide?
(Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide has a molecular weight of 376.47 g/mol, XLogP of -1.06, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[4-[amino-[(Z)-2-amino-3-oxoprop-1-enyl]amino]butyl]amino]-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide is sourced from PubChem (CID 154982312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).