N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide

C24H27N3O2S — CID 131908751

IUPACN-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCC(c1cccnc1)N(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C24H27N3O2S/c1-4-5-12-20(18-10-8-15-25-17-18)26(2)23(28)19-11-6-7-13-21(19)27(3)24(29)22-14-9-16-30-22/h6-11,13-17,20H,4-5,12H2,1-3H3
InChIKeyPYRKFYIYJLYFGK-UHFFFAOYSA-N
MW421.57 g/mol
LogP5.42
Rot. Bonds8

About N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 131908751) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID131908751
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC NameN-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCCC(c1cccnc1)N(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1
InChIInChI=1S/C24H27N3O2S/c1-4-5-12-20(18-10-8-15-25-17-18)26(2)23(28)19-11-6-7-13-21(19)27(3)24(29)22-14-9-16-30-22/h6-11,13-17,20H,4-5,12H2,1-3H3
InChIKeyPYRKFYIYJLYFGK-UHFFFAOYSA-N
XLogP5.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.57
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
7-fluoro-N,2-dimethyl-N-[(1S)-1-pyridin-3-ylpentyl]quinoline-4-carboxamide
CID 96580826
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 137027898
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1-[(1R)-1-pyridin-3-ylpentyl]urea
CID 137027899
6-chloro-N,1-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]indole-2-carboxamide
CID 99935099
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
N-[2-(1-imidazol-1-ylpropan-2-ylcarbamoyl)phenyl]-N-methylthiophene-2-carboxamide
CID 47031153
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 131908751) is N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide is CCCCC(c1cccnc1)N(C)C(=O)c1ccccc1N(C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PYRKFYIYJLYFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-4-5-12-20(18-10-8-15-25-17-18)26(2)23(28)19-11-6-7-13-21(19)27(3)24(29)22-14-9-16-30-22/h6-11,13-17,20H,4-5,12H2,1-3H3.
What are the key properties of N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl(1-pyridin-3-ylpentyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 131908751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).