4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide

C16H16N4O2 — CID 39890660

IUPAC4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)NC1CC1
InChIInChI=1S/C16H16N4O2/c21-15(18-14-2-1-9-17-10-14)11-3-5-12(6-4-11)19-16(22)20-13-7-8-13/h1-6,9-10,13H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyOEABHUIHHSSNJQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.62
Rot. Bonds4

About 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide

4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide (PubChem CID 39890660) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
PubChem CID39890660
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)NC1CC1
InChIInChI=1S/C16H16N4O2/c21-15(18-14-2-1-9-17-10-14)11-3-5-12(6-4-11)19-16(22)20-13-7-8-13/h1-6,9-10,13H,7-8H2,(H,18,21)(H2,19,20,22)
InChIKeyOEABHUIHHSSNJQ-UHFFFAOYSA-N
XLogP2.62
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
N-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 175209394
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide (CID 39890660) is 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide is O=C(Nc1ccc(C(=O)Nc2cccnc2)cc1)NC1CC1.
What is the InChIKey of 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide?
The InChIKey is OEABHUIHHSSNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(18-14-2-1-9-17-10-14)11-3-5-12(6-4-11)19-16(22)20-13-7-8-13/h1-6,9-10,13H,7-8H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide?
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide has a molecular weight of 296.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 39890660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).