N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide

C20H21ClN4O3 — CID 126494683

IUPACN-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C(=O)C2CC2)c2nc(Cl)cc3c2ncn3C)c(OC)c1
InChIInChI=1S/C20H21ClN4O3/c1-24-11-22-18-15(24)9-17(21)23-19(18)25(20(26)12-4-5-12)10-13-6-7-14(27-2)8-16(13)28-3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyVMWNSEXAZZAVNM-UHFFFAOYSA-N
MW400.87 g/mol
LogP3.58
Rot. Bonds6

About N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide

N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide (PubChem CID 126494683) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
PubChem CID126494683
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC NameN-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C(=O)C2CC2)c2nc(Cl)cc3c2ncn3C)c(OC)c1
InChIInChI=1S/C20H21ClN4O3/c1-24-11-22-18-15(24)9-17(21)23-19(18)25(20(26)12-4-5-12)10-13-6-7-14(27-2)8-16(13)28-3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyVMWNSEXAZZAVNM-UHFFFAOYSA-N
XLogP3.58
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-amino-1-methylimidazo[4,5-c]pyridin-4-yl)-[(2,4-dimethoxyphenyl)methyl]carbamic acid;2-methylpropan-2-ol
CID 172729356
tert-butyl N-[6-(benzhydrylideneamino)-1-methylimidazo[4,5-c]pyridin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 58180611
N-[(2,4-dimethoxyphenyl)methyl]-N-(1-methylpyrazol-4-yl)cyclopentanecarboxamide
CID 71873157
(2S,4S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120637099
cis-(1S,2R)-N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 96523719
cis-(1R,2R)-N-[6-(5-cyano-2-ethyl-N-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234491
cis-(1R,2R)-N-[6-(5-ethynyl-2-methylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 126494701
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-ethylcyclopropanecarboxamide
CID 861950
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27774368
cis-(1R,2R)-N-[6-(5-cyano-N,2-dimethylanilino)-1-methylimidazo[4,5-c]pyridin-4-yl]-2-fluoro-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide;ethane
CID 145234584
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetamide
CID 34960365
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94090987

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide (CID 126494683) is N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide is COc1ccc(CN(C(=O)C2CC2)c2nc(Cl)cc3c2ncn3C)c(OC)c1.
What is the InChIKey of N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is VMWNSEXAZZAVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-24-11-22-18-15(24)9-17(21)23-19(18)25(20(26)12-4-5-12)10-13-6-7-14(27-2)8-16(13)28-3/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide?
N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-methylimidazo[4,5-c]pyridin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 126494683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).