N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide

C21H26N4O3 — CID 125175368

IUPACN-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)Cc1cccc(C)n1
InChIInChI=1S/C21H26N4O3/c1-13-5-4-6-17(22-13)11-14(2)23-21(27)25-18-12-15(7-10-19(18)28-3)20(26)24-16-8-9-16/h4-7,10,12,14,16H,8-9,11H2,1-3H3,(H,24,26)(H2,23,25,27)/t14-/m0/s1
InChIKeyHWFYTERGAIELQS-AWEZNQCLSA-N
MW382.46 g/mol
LogP3.04
Rot. Bonds7

About N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide

N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide (PubChem CID 125175368) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
PubChem CID125175368
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide
SMILESCOc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)Cc1cccc(C)n1
InChIInChI=1S/C21H26N4O3/c1-13-5-4-6-17(22-13)11-14(2)23-21(27)25-18-12-15(7-10-19(18)28-3)20(26)24-16-8-9-16/h4-7,10,12,14,16H,8-9,11H2,1-3H3,(H,24,26)(H2,23,25,27)/t14-/m0/s1
InChIKeyHWFYTERGAIELQS-AWEZNQCLSA-N
XLogP3.04
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methoxy-3-[1-(6-methyl-2-pyridinyl)propan-2-ylcarbamoylamino]benzamide
CID 118786934
N-cyclopropyl-4-methoxy-3-[[(1S)-1-pyridin-3-ylpropyl]carbamoylamino]benzamide
CID 125156563
4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 78892807
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-cyclopropyl-4-methoxy-3-[[(3R)-oxolan-3-yl]methylcarbamoylamino]benzamide
CID 125161688
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
N-cyclopropyl-3-[[3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoyl]amino]-4-methylbenzamide
CID 55786328
N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
CID 97445237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide (CID 125175368) is N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide is COc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)Cc1cccc(C)n1.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide?
The InChIKey is HWFYTERGAIELQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-5-4-6-17(22-13)11-14(2)23-21(27)25-18-12-15(7-10-19(18)28-3)20(26)24-16-8-9-16/h4-7,10,12,14,16H,8-9,11H2,1-3H3,(H,24,26)(H2,23,25,27)/t14-/m0/s1.
What are the key properties of N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide?
N-cyclopropyl-4-methoxy-3-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 3.04, 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-[[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 125175368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).