2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide

C15H21N5O — CID 96570316

IUPAC2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
SMILESC[C@H](CNC(=O)c1ccnc(N(C)C)c1)Cn1ccnc1
InChIInChI=1S/C15H21N5O/c1-12(10-20-7-6-16-11-20)9-18-15(21)13-4-5-17-14(8-13)19(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyBHTXBIVUBQQGPY-GFCCVEGCSA-N
MW287.37 g/mol
LogP1.41
Rot. Bonds6

About 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide

2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide (PubChem CID 96570316) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
PubChem CID96570316
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide
SMILESC[C@H](CNC(=O)c1ccnc(N(C)C)c1)Cn1ccnc1
InChIInChI=1S/C15H21N5O/c1-12(10-20-7-6-16-11-20)9-18-15(21)13-4-5-17-14(8-13)19(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)/t12-/m1/s1
InChIKeyBHTXBIVUBQQGPY-GFCCVEGCSA-N
XLogP1.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-imidazol-1-yl-2-methylpropyl)-1H-indole-5-carboxamide
CID 71865171
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2,3,5,6-tetrafluoro-N-(3-imidazol-1-yl-2-methylpropyl)benzamide
CID 122145663
2-[[[2-(dimethylamino)pyridine-4-carbonyl]amino]methyl]pentanoic acid
CID 65223408
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
2-(dimethylamino)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 155944963
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 96570332
2-fluoro-N-(3-imidazol-1-yl-2-methylpropyl)-4-nitrobenzamide
CID 71981977
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-2H-chromene-3-carboxamide
CID 124589802
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide (CID 96570316) is 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide is C[C@H](CNC(=O)c1ccnc(N(C)C)c1)Cn1ccnc1.
What is the InChIKey of 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide?
The InChIKey is BHTXBIVUBQQGPY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12(10-20-7-6-16-11-20)9-18-15(21)13-4-5-17-14(8-13)19(2)3/h4-8,11-12H,9-10H2,1-3H3,(H,18,21)/t12-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(2R)-3-imidazol-1-yl-2-methylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 96570316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).