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

C16H22N4O2 — CID 123759576

IUPAC2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide
SMILESC=C(C)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O
InChIInChI=1S/C16H22N4O2/c1-10(2)6-7-11(3)18-13-8-9-14(20-16(13)22)19-15(21)12(4)17-5/h6-9,12,17H,1H2,2-5H3,(H2,19,20,21,22)/b7-6-,18-11+
InChIKeyZZLBPVLLFCZAQW-OBOSPQDYSA-N
MW302.38 g/mol
LogP2.15
Rot. Bonds6

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

2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide (PubChem CID 123759576) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide
PubChem CID123759576
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide
SMILESC=C(C)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O
InChIInChI=1S/C16H22N4O2/c1-10(2)6-7-11(3)18-13-8-9-14(20-16(13)22)19-15(21)12(4)17-5/h6-9,12,17H,1H2,2-5H3,(H2,19,20,21,22)/b7-6-,18-11+
InChIKeyZZLBPVLLFCZAQW-OBOSPQDYSA-N
XLogP2.15
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.15
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 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide?
The IUPAC name of 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide (CID 123759576) is 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide is C=C(C)/C=C\C(C)=N\c1ccc(NC(=O)C(C)NC)[nH]c1=O.
What is the InChIKey of 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide?
The InChIKey is ZZLBPVLLFCZAQW-OBOSPQDYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-10(2)6-7-11(3)18-13-8-9-14(20-16(13)22)19-15(21)12(4)17-5/h6-9,12,17H,1H2,2-5H3,(H2,19,20,21,22)/b7-6-,18-11+.
What are the key properties of 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide?
2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[5-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]-6-oxo-1H-pyridin-2-yl]propanamide is sourced from PubChem (CID 123759576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).