N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide

C20H24N4O3 — CID 125156563

IUPACN-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
SMILESCC[C@H](NC(=O)Nc1cc(C(=O)NC2CC2)ccc1OC)c1cccnc1
InChIInChI=1S/C20H24N4O3/c1-3-16(14-5-4-10-21-12-14)23-20(26)24-17-11-13(6-9-18(17)27-2)19(25)22-15-7-8-15/h4-6,9-12,15-16H,3,7-8H2,1-2H3,(H,22,25)(H2,23,24,26)/t16-/m0/s1
InChIKeyNXDATUGXCYKJFL-INIZCTEOSA-N
MW368.44 g/mol
LogP3.26
Rot. Bonds7

About N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide

N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide (PubChem CID 125156563) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
PubChem CID125156563
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
SMILESCC[C@H](NC(=O)Nc1cc(C(=O)NC2CC2)ccc1OC)c1cccnc1
InChIInChI=1S/C20H24N4O3/c1-3-16(14-5-4-10-21-12-14)23-20(26)24-17-11-13(6-9-18(17)27-2)19(25)22-15-7-8-15/h4-6,9-12,15-16H,3,7-8H2,1-2H3,(H,22,25)(H2,23,24,26)/t16-/m0/s1
InChIKeyNXDATUGXCYKJFL-INIZCTEOSA-N
XLogP3.26
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-methoxy-3-[1-(6-methyl-2-pyridinyl)propan-2-ylcarbamoylamino]benzamide
CID 118786934
N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
CID 125175368
N-(2-methoxyethyl)-4-[[(1R)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125161102
1-N-cyclopropyl-4-N-[(1S)-2,2-dimethoxy-1-pyridin-3-ylethyl]benzene-1,4-dicarboxamide
CID 99784507
3-fluoro-4-methyl-N-(1-pyridin-3-ylpropyl)benzamide
CID 91796729
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
CID 125161688
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
1-(3-methoxy-4-methylphenyl)-3-[(1R)-3-methyl-1-pyridin-3-ylbutyl]urea
CID 125177918
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
CID 97445237
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide (CID 125156563) is N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide is CC[C@H](NC(=O)Nc1cc(C(=O)NC2CC2)ccc1OC)c1cccnc1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
The InChIKey is NXDATUGXCYKJFL-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-16(14-5-4-10-21-12-14)23-20(26)24-17-11-13(6-9-18(17)27-2)19(25)22-15-7-8-15/h4-6,9-12,15-16H,3,7-8H2,1-2H3,(H,22,25)(H2,23,24,26)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide?
N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide is sourced from PubChem (CID 125156563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).