(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide

C15H19N5O — CID 119859955

IUPAC(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CCCCN1
InChIInChI=1S/C15H19N5O/c21-15(13-3-1-2-5-17-13)19-10-12-4-6-18-14(9-12)20-8-7-16-11-20/h4,6-9,11,13,17H,1-3,5,10H2,(H,19,21)/t13-/m1/s1
InChIKeyMFKHVNFCAGWITD-CYBMUJFWSA-N
MW285.35 g/mol
LogP1.03
Rot. Bonds4

About (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide

(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide (PubChem CID 119859955) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
PubChem CID119859955
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CCCCN1
InChIInChI=1S/C15H19N5O/c21-15(13-3-1-2-5-17-13)19-10-12-4-6-18-14(9-12)20-8-7-16-11-20/h4,6-9,11,13,17H,1-3,5,10H2,(H,19,21)/t13-/m1/s1
InChIKeyMFKHVNFCAGWITD-CYBMUJFWSA-N
XLogP1.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide (CID 119859955) is (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide is O=C(NCc1ccnc(-n2ccnc2)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
The InChIKey is MFKHVNFCAGWITD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(13-3-1-2-5-17-13)19-10-12-4-6-18-14(9-12)20-8-7-16-11-20/h4,6-9,11,13,17H,1-3,5,10H2,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide?
(2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119859955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).