6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

C16H13ClN4O2 — CID 171137660

IUPAC6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H13ClN4O2/c1-23-13-5-2-11(3-6-13)8-18-20-16(22)14-10-21-9-12(17)4-7-15(21)19-14/h2-10H,1H3,(H,20,22)
InChIKeyDPPSNLCDMFSPBN-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.76
Rot. Bonds4

About 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171137660) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171137660
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2cn3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C16H13ClN4O2/c1-23-13-5-2-11(3-6-13)8-18-20-16(22)14-10-21-9-12(17)4-7-15(21)19-14/h2-10H,1H3,(H,20,22)
InChIKeyDPPSNLCDMFSPBN-UHFFFAOYSA-N
XLogP2.76
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-6-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 167450793
N-[(E)-benzylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 44726099
(2R)-2-(4-chlorophenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]propanamide
CID 5393226
(2S)-2-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methylideneamino]propanamide
CID 689244
5-bromo-N-[(E)-(4-chlorophenyl)methylideneamino]imidazo[1,2-a]pyrazine-2-carboxamide
CID 90486810
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
4-chloro-N-[(E)-(4-methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide
CID 71473029
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methoxybenzenecarbothioamide
CID 170856094

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide (CID 171137660) is 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is COc1ccc(C=NNC(=O)c2cn3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is DPPSNLCDMFSPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-23-13-5-2-11(3-6-13)8-18-20-16(22)14-10-21-9-12(17)4-7-15(21)19-14/h2-10H,1H3,(H,20,22).
What are the key properties of 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171137660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).