5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide

C14H18N6O — CID 125178549

IUPAC5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[nH]1
InChIInChI=1S/C14H18N6O/c1-10-8-17-12(18-10)13(21)19-11-4-2-7-20(9-11)14-15-5-3-6-16-14/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1
InChIKeyTXSICVXTGWSBCL-NSHDSACASA-N
MW286.34 g/mol
LogP0.91
Rot. Bonds3

About 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide

5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide (PubChem CID 125178549) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
PubChem CID125178549
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[nH]1
InChIInChI=1S/C14H18N6O/c1-10-8-17-12(18-10)13(21)19-11-4-2-7-20(9-11)14-15-5-3-6-16-14/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1
InChIKeyTXSICVXTGWSBCL-NSHDSACASA-N
XLogP0.91
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770104
5-chloro-N-(1-pyrimidin-2-ylpiperidin-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55802714
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 138036782
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
3-ethyl-5-methyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 42556906
1-cyclobutyl-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119153839
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide (CID 125178549) is 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)[nH]1.
What is the InChIKey of 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide?
The InChIKey is TXSICVXTGWSBCL-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-8-17-12(18-10)13(21)19-11-4-2-7-20(9-11)14-15-5-3-6-16-14/h3,5-6,8,11H,2,4,7,9H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1.
What are the key properties of 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide?
5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 125178549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).