N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

C16H19N5O2 — CID 70788637

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H19N5O2/c1-10-12(16(23)21-13-4-6-18-9-14(13)22)8-19-15(20-10)11-3-2-5-17-7-11/h2-3,5,7-8,13-14,18,22H,4,6,9H2,1H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyKUWGVIJOMVUOIN-ZIAGYGMSSA-N
MW313.36 g/mol
LogP0.30
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 70788637) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID70788637
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H19N5O2/c1-10-12(16(23)21-13-4-6-18-9-14(13)22)8-19-15(20-10)11-3-2-5-17-7-11/h2-3,5,7-8,13-14,18,22H,4,6,9H2,1H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyKUWGVIJOMVUOIN-ZIAGYGMSSA-N
XLogP0.30
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 74244228
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
4-methyl-N-[[(2S,5R)-1-methyl-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 165427073
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride
CID 154895328
(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
N-[[4-(dimethylamino)oxan-4-yl]methyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 118764274
4-methyl-2-pyridin-3-yl-N-pyrrolo[3,2-b]pyridin-1-ylpyrimidine-5-carboxamide
CID 59199969
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 164694318
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 70788637) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is Cc1nc(-c2cccnc2)ncc1C(=O)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is KUWGVIJOMVUOIN-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-12(16(23)21-13-4-6-18-9-14(13)22)8-19-15(20-10)11-3-2-5-17-7-11/h2-3,5,7-8,13-14,18,22H,4,6,9H2,1H3,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 70788637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).