N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide

C16H26N4O — CID 124983622

IUPACN,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(C)C)C2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-5-6-13(10-20)8-14-9-15(16(21)17-4)19-12(3)18-14/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t13-/m0/s1
InChIKeyNFDTVGIPQZKNLA-ZDUSSCGKSA-N
MW290.41 g/mol
LogP1.81
Rot. Bonds4

About N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide

N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124983622) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124983622
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(C)C)C2)nc(C)n1
InChIInChI=1S/C16H26N4O/c1-11(2)20-7-5-6-13(10-20)8-14-9-15(16(21)17-4)19-12(3)18-14/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t13-/m0/s1
InChIKeyNFDTVGIPQZKNLA-ZDUSSCGKSA-N
XLogP1.81
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100807
6-[[(3S)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-N,2-dimethylpyrimidine-4-carboxamide
CID 125018988
N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124975028
[5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,2-oxazol-3-yl]methanol
CID 115094198
2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132364
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
2-methyl-6-[[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124953767
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520
1-(1,5-dimethylpyrazol-3-yl)-2-[(3S)-1-propan-2-ylpiperidin-3-yl]ethanone
CID 159297016
1-(5-methyl-1,2-oxazol-3-yl)-3-[(3S)-1-propan-2-ylpiperidin-3-yl]propan-2-one
CID 159657739
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083475
N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125001293

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124983622) is N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C[C@@H]2CCCN(C(C)C)C2)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is NFDTVGIPQZKNLA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)20-7-5-6-13(10-20)8-14-9-15(16(21)17-4)19-12(3)18-14/h9,11,13H,5-8,10H2,1-4H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124983622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).