N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

C19H26N6O2 — CID 95806040

IUPACN,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc1C
InChIInChI=1S/C19H26N6O2/c1-4-24(5-2)18(26)14-12-20-17(22-13(14)3)16-8-6-7-11-25(16)19(27)15-9-10-21-23-15/h9-10,12,16H,4-8,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyCMGKXGROQYPDAP-MRXNPFEDSA-N
MW370.46 g/mol
LogP2.36
Rot. Bonds5

About N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 95806040) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID95806040
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc1C
InChIInChI=1S/C19H26N6O2/c1-4-24(5-2)18(26)14-12-20-17(22-13(14)3)16-8-6-7-11-25(16)19(27)15-9-10-21-23-15/h9-10,12,16H,4-8,11H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyCMGKXGROQYPDAP-MRXNPFEDSA-N
XLogP2.36
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
CID 110247833
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806803
N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
2-[1-(1-cyclopropylbenzimidazole-5-carbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110084642
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 95806040) is N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccn[nH]2)nc1C.
What is the InChIKey of N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is CMGKXGROQYPDAP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-4-24(5-2)18(26)14-12-20-17(22-13(14)3)16-8-6-7-11-25(16)19(27)15-9-10-21-23-15/h9-10,12,16H,4-8,11H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95806040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).