4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide

C21H24N4O2 — CID 126427472

IUPAC4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccc(OC)nc2)cc1)c1nccn1C
InChIInChI=1S/C21H24N4O2/c1-4-5-18(20-22-12-13-25(20)2)24-21(26)16-8-6-15(7-9-16)17-10-11-19(27-3)23-14-17/h6-14,18H,4-5H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyPNELUQHYWJCALD-GOSISDBHSA-N
MW364.45 g/mol
LogP3.76
Rot. Bonds7

About 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide

4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide (PubChem CID 126427472) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
PubChem CID126427472
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
SMILESCCC[C@@H](NC(=O)c1ccc(-c2ccc(OC)nc2)cc1)c1nccn1C
InChIInChI=1S/C21H24N4O2/c1-4-5-18(20-22-12-13-25(20)2)24-21(26)16-8-6-15(7-9-16)17-10-11-19(27-3)23-14-17/h6-14,18H,4-5H2,1-3H3,(H,24,26)/t18-/m1/s1
InChIKeyPNELUQHYWJCALD-GOSISDBHSA-N
XLogP3.76
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 46529258
2-[4-(6-methoxy-3-pyridinyl)phenyl]pentanoic acid
CID 68886862
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide (CID 126427472) is 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide is CCC[C@@H](NC(=O)c1ccc(-c2ccc(OC)nc2)cc1)c1nccn1C.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide?
The InChIKey is PNELUQHYWJCALD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-5-18(20-22-12-13-25(20)2)24-21(26)16-8-6-15(7-9-16)17-10-11-19(27-3)23-14-17/h6-14,18H,4-5H2,1-3H3,(H,24,26)/t18-/m1/s1.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide?
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide is sourced from PubChem (CID 126427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).