3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide

C17H18N4O2 — CID 47041310

IUPAC3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCc2ccccn2)c1)NC1CC1
InChIInChI=1S/C17H18N4O2/c22-16(19-11-15-5-1-2-9-18-15)12-4-3-6-14(10-12)21-17(23)20-13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22)(H2,20,21,23)
InChIKeyMQKZNQJZWAGZSZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.30
Rot. Bonds5

About 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide

3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 47041310) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID47041310
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(Nc1cccc(C(=O)NCc2ccccn2)c1)NC1CC1
InChIInChI=1S/C17H18N4O2/c22-16(19-11-15-5-1-2-9-18-15)12-4-3-6-14(10-12)21-17(23)20-13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22)(H2,20,21,23)
InChIKeyMQKZNQJZWAGZSZ-UHFFFAOYSA-N
XLogP2.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
3-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]azetidine-1,3-dicarboxamide
CID 166340166
3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 55964646
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-(cyclopropylcarbamoylamino)-N-(2-methylpropyl)benzamide
CID 47298640
N-(1,2-dimethylpiperidin-3-yl)-N'-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]oxamide
CID 166209499
3-(cyclopropylcarbamoylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60527760
2-(4-fluorobenzoyl)-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 60555105
2-cyclopropyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]quinoline-4-carboxamide
CID 60554928
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide (CID 47041310) is 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide is O=C(Nc1cccc(C(=O)NCc2ccccn2)c1)NC1CC1.
What is the InChIKey of 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is MQKZNQJZWAGZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16(19-11-15-5-1-2-9-18-15)12-4-3-6-14(10-12)21-17(23)20-13-7-8-13/h1-6,9-10,13H,7-8,11H2,(H,19,22)(H2,20,21,23).
What are the key properties of 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide?
3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoylamino)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 47041310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).