N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide

C16H13ClN4O2 — CID 122156336

IUPACN-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1
InChIInChI=1S/C16H13ClN4O2/c1-21-9-14(19-10-21)16(22)20-11-2-3-15(13(17)8-11)23-12-4-6-18-7-5-12/h2-10H,1H3,(H,20,22)
InChIKeyVZSBNHQGUHLENP-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.51
Rot. Bonds4

About N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide

N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide (PubChem CID 122156336) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide
PubChem CID122156336
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1
InChIInChI=1S/C16H13ClN4O2/c1-21-9-14(19-10-21)16(22)20-11-2-3-15(13(17)8-11)23-12-4-6-18-7-5-12/h2-10H,1H3,(H,20,22)
InChIKeyVZSBNHQGUHLENP-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
CID 122142167
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 114022445
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973113
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 114022425
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 136540100
N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide (CID 122156336) is N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(Oc3ccncc3)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is VZSBNHQGUHLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c1-21-9-14(19-10-21)16(22)20-11-2-3-15(13(17)8-11)23-12-4-6-18-7-5-12/h2-10H,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide?
N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 122156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).