N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

C14H16F2N4O — CID 176940135

IUPACN-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC/N=C/C=C(\N)c1cc(NC(=O)C2CC2(F)F)ncc1C
InChIInChI=1S/C14H16F2N4O/c1-8-7-19-12(5-9(8)11(17)3-4-18-2)20-13(21)10-6-14(10,15)16/h3-5,7,10H,6,17H2,1-2H3,(H,19,20,21)/b11-3-,18-4+
InChIKeyPAQXXVHMKTTXKS-AZOYUULWSA-N
MW294.31 g/mol
LogP1.98
Rot. Bonds4

About N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide

N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 176940135) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID176940135
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
SMILESC/N=C/C=C(\N)c1cc(NC(=O)C2CC2(F)F)ncc1C
InChIInChI=1S/C14H16F2N4O/c1-8-7-19-12(5-9(8)11(17)3-4-18-2)20-13(21)10-6-14(10,15)16/h3-5,7,10H,6,17H2,1-2H3,(H,19,20,21)/b11-3-,18-4+
InChIKeyPAQXXVHMKTTXKS-AZOYUULWSA-N
XLogP1.98
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171555408
(1S)-2,2-difluoro-N-[7-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropane-1-carboxamide
CID 71115800
N-[4-[(E)-1-aminoprop-1-en-2-yl]-[1,3]thiazolo[5,4-f]isoquinolin-8-yl]-2,2-difluorocyclopropane-1-carboxamide;iodomethane
CID 170968183
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170967852
(1S)-2,2-difluoro-N-[3-(5-methoxy-2-pyridinyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 169176882
(1R)-2,2-difluoro-N-[4-methyl-3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]cyclopropane-1-carboxamide
CID 169175808
(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 161228756
(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188299
2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555164
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556269

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide (CID 176940135) is N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is C/N=C/C=C(\N)c1cc(NC(=O)C2CC2(F)F)ncc1C.
What is the InChIKey of N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is PAQXXVHMKTTXKS-AZOYUULWSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8-7-19-12(5-9(8)11(17)3-4-18-2)20-13(21)10-6-14(10,15)16/h3-5,7,10H,6,17H2,1-2H3,(H,19,20,21)/b11-3-,18-4+.
What are the key properties of N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide?
N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-amino-3-methyliminoprop-1-enyl]-5-methyl-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 176940135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).