N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C17H20N4O2S — CID 125001293

IUPACN-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1
InChIInChI=1S/C17H20N4O2S/c1-18-16(22)14-9-13(19-11-20-14)8-12-4-2-6-21(10-12)17(23)15-5-3-7-24-15/h3,5,7,9,11-12H,2,4,6,8,10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeySCFJUDVEQGAGIL-LBPRGKRZSA-N
MW344.44 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 125001293) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID125001293
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1
InChIInChI=1S/C17H20N4O2S/c1-18-16(22)14-9-13(19-11-20-14)8-12-4-2-6-21(10-12)17(23)15-5-3-7-24-15/h3,5,7,9,11-12H,2,4,6,8,10H2,1H3,(H,18,22)/t12-/m0/s1
InChIKeySCFJUDVEQGAGIL-LBPRGKRZSA-N
XLogP1.99
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124996307
N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124975028
[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
[3-(cyclopentylmethylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 83997879
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
6-[[(4S)-1-[2-[(2-fluorophenyl)methyl]pyridine-4-carbonyl]azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124993100
N-methyl-6-[[(3R)-1-(oxan-4-yl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124991520
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[3-(methylaminomethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 63263775
6-[[(4R)-azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124641367
[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-thiophen-2-ylmethanone
CID 124943319
6-[[(4R)-1-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 125019552

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 125001293) is N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C[C@@H]2CCCN(C(=O)c3cccs3)C2)ncn1.
What is the InChIKey of N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is SCFJUDVEQGAGIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-18-16(22)14-9-13(19-11-20-14)8-12-4-2-6-21(10-12)17(23)15-5-3-7-24-15/h3,5,7,9,11-12H,2,4,6,8,10H2,1H3,(H,18,22)/t12-/m0/s1.
What are the key properties of N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 125001293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).