N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide

C17H21N5O2 — CID 124974314

IUPACN,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-10-14(20-17(24)19-12)16(23)21(2)13-6-5-9-22(11-13)15-7-3-4-8-18-15/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,24)/t13-/m1/s1
InChIKeyKPZIJWZVBHBXLE-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.21
Rot. Bonds3

About N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide

N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 124974314) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID124974314
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)nc(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-10-14(20-17(24)19-12)16(23)21(2)13-6-5-9-22(11-13)15-7-3-4-8-18-15/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,24)/t13-/m1/s1
InChIKeyKPZIJWZVBHBXLE-CYBMUJFWSA-N
XLogP1.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide
CID 125008427
N,1,3-trimethyl-2,6-dioxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrimidine-4-carboxamide
CID 124974957
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
5-fluoro-2-methoxy-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124952867
3-ethyl-N,5-dimethyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125005100
N-methyl-2-(5-methylthiophen-2-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]acetamide
CID 124975661
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
3-(1,1-dioxothiazinan-2-yl)-N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]benzamide
CID 124994479

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide (CID 124974314) is N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)nc(=O)[nH]1.
What is the InChIKey of N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is KPZIJWZVBHBXLE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-10-14(20-17(24)19-12)16(23)21(2)13-6-5-9-22(11-13)15-7-3-4-8-18-15/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H,19,20,24)/t13-/m1/s1.
What are the key properties of N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide?
N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-oxo-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 124974314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).