N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide

C17H21N5O2 — CID 125017362

IUPACN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N5O2/c1-13-14(9-18-12-21-13)16(23)20-10-17(24)6-4-8-22(11-17)15-5-2-3-7-19-15/h2-3,5,7,9,12,24H,4,6,8,10-11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyXGWITEHATJFYBC-QGZVFWFLSA-N
MW327.39 g/mol
LogP0.94
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide

N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 125017362) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID125017362
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C17H21N5O2/c1-13-14(9-18-12-21-13)16(23)20-10-17(24)6-4-8-22(11-17)15-5-2-3-7-19-15/h2-3,5,7,9,12,24H,4,6,8,10-11H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyXGWITEHATJFYBC-QGZVFWFLSA-N
XLogP0.94
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 125011518
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-methylthiophene-2-carboxamide
CID 110124076
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988775
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]propane-1-sulfonamide
CID 124956556
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide (CID 125017362) is N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)NC[C@]1(O)CCCN(c2ccccn2)C1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is XGWITEHATJFYBC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-14(9-18-12-21-13)16(23)20-10-17(24)6-4-8-22(11-17)15-5-2-3-7-19-15/h2-3,5,7,9,12,24H,4,6,8,10-11H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide?
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 125017362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).