N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C19H24N6O2 — CID 110100816

IUPACN,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)c3cncnc3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C19H24N6O2/c1-13-22-16(8-17(23-13)19(27)24(2)3)7-14-5-4-6-25(11-14)18(26)15-9-20-12-21-10-15/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyVEMYLWVBHYGEIO-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.37
Rot. Bonds4

About N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 110100816) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID110100816
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)c3cncnc3)C2)cc(C(=O)N(C)C)n1
InChIInChI=1S/C19H24N6O2/c1-13-22-16(8-17(23-13)19(27)24(2)3)7-14-5-4-6-25(11-14)18(26)15-9-20-12-21-10-15/h8-10,12,14H,4-7,11H2,1-3H3
InChIKeyVEMYLWVBHYGEIO-UHFFFAOYSA-N
XLogP1.37
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
N,N,2-trimethyl-6-[[(3S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124958349
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
[(3S)-3-[[6-(N-methylanilino)pyridazin-3-yl]methyl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124985124
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
1-[(3S)-3-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846939

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 110100816) is N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is Cc1nc(CC2CCCN(C(=O)c3cncnc3)C2)cc(C(=O)N(C)C)n1.
What is the InChIKey of N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is VEMYLWVBHYGEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-22-16(8-17(23-13)19(27)24(2)3)7-14-5-4-6-25(11-14)18(26)15-9-20-12-21-10-15/h8-10,12,14H,4-7,11H2,1-3H3.
What are the key properties of N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-[[1-(pyrimidine-5-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110100816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).