N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide

C19H21N3O3 — CID 56782320

IUPACN-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)CCc2cccnc2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O3/c1-25-15-7-8-17(16(11-15)19(24)21-14-5-6-14)22-18(23)9-4-13-3-2-10-20-12-13/h2-3,7-8,10-12,14H,4-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyOFKNHUQJKAYNHH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.55
Rot. Bonds7

About N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide

N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide (PubChem CID 56782320) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
PubChem CID56782320
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
SMILESCOc1ccc(NC(=O)CCc2cccnc2)c(C(=O)NC2CC2)c1
InChIInChI=1S/C19H21N3O3/c1-25-15-7-8-17(16(11-15)19(24)21-14-5-6-14)22-18(23)9-4-13-3-2-10-20-12-13/h2-3,7-8,10-12,14H,4-6,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyOFKNHUQJKAYNHH-UHFFFAOYSA-N
XLogP2.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminobutanoylamino)-N-cyclopropyl-5-methoxybenzamide
CID 119320449
N-cyclopropyl-5-methoxy-2-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119778181
N-cyclopropyl-2-[3-(3,5-dimethoxyphenyl)propanoylamino]benzamide
CID 26707492
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
5-methyl-2-(3-pyridin-3-ylpropanoylamino)benzoic acid
CID 43359065
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
N-cyclopropyl-5-methoxy-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119778208
N-cyclopropyl-5-methoxy-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 119778200
N-[(1S,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596571
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596568
N-cyclopropyl-5-methoxy-2-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]benzamide
CID 56782333
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The IUPAC name of N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide (CID 56782320) is N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide is COc1ccc(NC(=O)CCc2cccnc2)c(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide?
The InChIKey is OFKNHUQJKAYNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-15-7-8-17(16(11-15)19(24)21-14-5-6-14)22-18(23)9-4-13-3-2-10-20-12-13/h2-3,7-8,10-12,14H,4-6,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide?
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide is sourced from PubChem (CID 56782320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).