N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide

C15H19ClN4O2 — CID 123640171

IUPACN-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide
SMILESC=C(Cl)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O
InChIInChI=1S/C15H19ClN4O2/c1-9(16)5-6-10(2)18-12-7-8-13(20-15(12)22)19-14(21)11(3)17-4/h5-8,11,17H,1H2,2-4H3,(H2,19,20,21,22)/b6-5-,18-10+
InChIKeyKGZPMZCQGKSWPW-JXRAZSBNSA-N
MW322.80 g/mol
LogP2.32
Rot. Bonds6

About N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide

N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide (PubChem CID 123640171) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide
PubChem CID123640171
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC NameN-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide
SMILESC=C(Cl)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O
InChIInChI=1S/C15H19ClN4O2/c1-9(16)5-6-10(2)18-12-7-8-13(20-15(12)22)19-14(21)11(3)17-4/h5-8,11,17H,1H2,2-4H3,(H2,19,20,21,22)/b6-5-,18-10+
InChIKeyKGZPMZCQGKSWPW-JXRAZSBNSA-N
XLogP2.32
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide (CID 123640171) is N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide is C=C(Cl)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O.
What is the InChIKey of N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide?
The InChIKey is KGZPMZCQGKSWPW-JXRAZSBNSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(16)5-6-10(2)18-12-7-8-13(20-15(12)22)19-14(21)11(3)17-4/h5-8,11,17H,1H2,2-4H3,(H2,19,20,21,22)/b6-5-,18-10+.
What are the key properties of N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide?
N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide has a molecular weight of 322.80 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3Z)-5-chlorohexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 123640171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).