N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide

C21H28N4O2 — CID 125172275

IUPACN,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C21H28N4O2/c1-5-6-9-19(17-8-7-12-23-14-17)25(4)21(27)24-18-11-10-16(13-15(18)2)20(26)22-3/h7-8,10-14,19H,5-6,9H2,1-4H3,(H,22,26)(H,24,27)/t19-/m0/s1
InChIKeyQLKWLRSSHOBORE-IBGZPJMESA-N
MW368.48 g/mol
LogP4.14
Rot. Bonds7

About N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide

N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide (PubChem CID 125172275) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
PubChem CID125172275
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide
SMILESCCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(=O)NC)cc1C
InChIInChI=1S/C21H28N4O2/c1-5-6-9-19(17-8-7-12-23-14-17)25(4)21(27)24-18-11-10-16(13-15(18)2)20(26)22-3/h7-8,10-14,19H,5-6,9H2,1-4H3,(H,22,26)(H,24,27)/t19-/m0/s1
InChIKeyQLKWLRSSHOBORE-IBGZPJMESA-N
XLogP4.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methyl-1-[(1S)-1-pyridin-3-ylpentyl]urea
CID 97436636
1-methyl-3-(oxan-4-yl)-1-(1-pyridin-3-ylpentyl)urea
CID 119069380
3-[(2,5-difluorophenyl)methyl]-1-methyl-1-(1-pyridin-3-ylpentyl)urea
CID 119065675
4-(difluoromethoxy)-N-methyl-N-(1-pyridin-3-ylpentyl)benzamide
CID 131892363
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
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)carbamoyl]amino]-N-ethyl-3-methylbenzamide
CID 87010560
1-methyl-3-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-1-(1-pyridin-3-ylpropyl)urea
CID 118763854
N,1,3-trimethyl-2,6-dioxo-N-[(1S)-1-pyridin-3-ylpentyl]pyrimidine-4-carboxamide
CID 95144359
4-(butanoylamino)-N,3-dimethylbenzamide
CID 61216786
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-N-methyl-N-[(1R)-1-pyridin-3-ylpentyl]benzamide
CID 125156737
6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide?
The IUPAC name of N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide (CID 125172275) is N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide.
What is the SMILES notation for N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide?
The canonical SMILES for N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide is CCCC[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(C(=O)NC)cc1C.
What is the InChIKey of N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide?
The InChIKey is QLKWLRSSHOBORE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-6-9-19(17-8-7-12-23-14-17)25(4)21(27)24-18-11-10-16(13-15(18)2)20(26)22-3/h7-8,10-14,19H,5-6,9H2,1-4H3,(H,22,26)(H,24,27)/t19-/m0/s1.
What are the key properties of N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide?
N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[[methyl-[(1S)-1-pyridin-3-ylpentyl]carbamoyl]amino]benzamide is sourced from PubChem (CID 125172275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).