4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide

C20H23N5O — CID 126432546

IUPAC4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(-c2cnccc2N)cc1)c1nccn1C
InChIInChI=1S/C20H23N5O/c1-13(2)18(19-23-10-11-25(19)3)24-20(26)15-6-4-14(5-7-15)16-12-22-9-8-17(16)21/h4-13,18H,1-3H3,(H2,21,22)(H,24,26)/t18-/m1/s1
InChIKeyQTZGXGFNNXWNRH-GOSISDBHSA-N
MW349.44 g/mol
LogP3.19
Rot. Bonds5

About 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide

4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide (PubChem CID 126432546) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide
PubChem CID126432546
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)c1ccc(-c2cnccc2N)cc1)c1nccn1C
InChIInChI=1S/C20H23N5O/c1-13(2)18(19-23-10-11-25(19)3)24-20(26)15-6-4-14(5-7-15)16-12-22-9-8-17(16)21/h4-13,18H,1-3H3,(H2,21,22)(H,24,26)/t18-/m1/s1
InChIKeyQTZGXGFNNXWNRH-GOSISDBHSA-N
XLogP3.19
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
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N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
CID 125437179
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-benzoxepine-4-carboxamide
CID 125442659
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 122562082
3-amino-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110474410
2-(2-methoxyethoxy)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118787632
1-methyl-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 125447930

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide?
The IUPAC name of 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide (CID 126432546) is 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide is CC(C)[C@@H](NC(=O)c1ccc(-c2cnccc2N)cc1)c1nccn1C.
What is the InChIKey of 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide?
The InChIKey is QTZGXGFNNXWNRH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13(2)18(19-23-10-11-25(19)3)24-20(26)15-6-4-14(5-7-15)16-12-22-9-8-17(16)21/h4-13,18H,1-3H3,(H2,21,22)(H,24,26)/t18-/m1/s1.
What are the key properties of 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide?
4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-pyridinyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 126432546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).