2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide

C16H14ClN3O2 — CID 4656498

IUPAC2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=CC=NNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c1-22-13-8-6-12(7-9-13)4-2-11-19-20-16(21)14-5-3-10-18-15(14)17/h2-11H,1H3,(H,20,21)
InChIKeyKJVZDISDTDNMPG-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.17
Rot. Bonds5

About 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide

2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide (PubChem CID 4656498) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
PubChem CID4656498
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(C=CC=NNC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c1-22-13-8-6-12(7-9-13)4-2-11-19-20-16(21)14-5-3-10-18-15(14)17/h2-11H,1H3,(H,20,21)
InChIKeyKJVZDISDTDNMPG-UHFFFAOYSA-N
XLogP3.17
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

(E)-1-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 71726330
methyl N-[(E)-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]amino]carbamate
CID 90120952
2-chloro-N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 50857638
2-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 4592443
2-chloro-N-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4997458
[(Z)-[(Z)-3-(4-methoxyphenyl)prop-2-enylidene]amino]thiourea
CID 93084415
3-(4-methoxyphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6861965
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 3933448
2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
CID 4584749
methyl 2-[2-bromo-4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 3445415
N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5179044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide (CID 4656498) is 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide is COc1ccc(C=CC=NNC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
The InChIKey is KJVZDISDTDNMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-22-13-8-6-12(7-9-13)4-2-11-19-20-16(21)14-5-3-10-18-15(14)17/h2-11H,1H3,(H,20,21).
What are the key properties of 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide?
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4656498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).