N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide

C17H18N4O — CID 139165605

IUPACN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(/C=C/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)15-10-8-14(9-11-15)6-5-13-19-20-17(22)16-7-3-4-12-18-16/h3-13H,1-2H3,(H,20,22)/b6-5+,19-13+
InChIKeyLLKGXFNJVNSSRN-NRNUCHLISA-N
MW294.36 g/mol
LogP2.58
Rot. Bonds5

About N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide

N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide (PubChem CID 139165605) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
PubChem CID139165605
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
SMILESCN(C)c1ccc(/C=C/C=N/NC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N4O/c1-21(2)15-10-8-14(9-11-15)6-5-13-19-20-17(22)16-7-3-4-12-18-16/h3-13H,1-2H3,(H,20,22)/b6-5+,19-13+
InChIKeyLLKGXFNJVNSSRN-NRNUCHLISA-N
XLogP2.58
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 7346885
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9015854
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4-nitrobenzamide
CID 6798224
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]-2-quinolin-8-yloxyacetamide
CID 126025717
4-[(E,3E)-3-[(3-chloro-2-pyridinyl)imino]prop-1-enyl]-N,N-dimethylaniline
CID 134095785
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
CID 142936010
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4656498
methyl (2Z)-N-[4-(dimethylamino)benzoyl]pyridine-2-carbohydrazonate
CID 11285903
4-(dimethylamino)-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6524785
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide (CID 139165605) is N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide is CN(C)c1ccc(/C=C/C=N/NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide?
The InChIKey is LLKGXFNJVNSSRN-NRNUCHLISA-N. The full InChI is InChI=1S/C17H18N4O/c1-21(2)15-10-8-14(9-11-15)6-5-13-19-20-17(22)16-7-3-4-12-18-16/h3-13H,1-2H3,(H,20,22)/b6-5+,19-13+.
What are the key properties of N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide?
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139165605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).