N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

C21H27N5O2 — CID 95806803

IUPACN,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)nc1C
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)21(28)17-14-23-19(24-15(17)3)18-10-6-7-12-26(18)20(27)16-9-8-11-22-13-16/h8-9,11,13-14,18H,4-7,10,12H2,1-3H3/t18-/m0/s1
InChIKeyVRCHPVOWRDMAQC-SFHVURJKSA-N
MW381.48 g/mol
LogP3.03
Rot. Bonds5

About N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 95806803) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID95806803
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)nc1C
InChIInChI=1S/C21H27N5O2/c1-4-25(5-2)21(28)17-14-23-19(24-15(17)3)18-10-6-7-12-26(18)20(27)16-9-8-11-22-13-16/h8-9,11,13-14,18H,4-7,10,12H2,1-3H3/t18-/m0/s1
InChIKeyVRCHPVOWRDMAQC-SFHVURJKSA-N
XLogP3.03
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833
N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806040
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249032
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92640294
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110084642
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 95806803) is N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)nc1C.
What is the InChIKey of N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is VRCHPVOWRDMAQC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-25(5-2)21(28)17-14-23-19(24-15(17)3)18-10-6-7-12-26(18)20(27)16-9-8-11-22-13-16/h8-9,11,13-14,18H,4-7,10,12H2,1-3H3/t18-/m0/s1.
What are the key properties of N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95806803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).