N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide

C14H19N3O — CID 79724165

IUPACN-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C14H19N3O/c18-14(17-12-5-6-12)10-1-3-11(4-2-10)16-13-7-8-15-9-13/h1-4,12-13,15-16H,5-9H2,(H,17,18)
InChIKeyVWLHKTKNENIKHN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.35
Rot. Bonds4

About N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide

N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide (PubChem CID 79724165) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
PubChem CID79724165
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
SMILESO=C(NC1CC1)c1ccc(NC2CCNC2)cc1
InChIInChI=1S/C14H19N3O/c18-14(17-12-5-6-12)10-1-3-11(4-2-10)16-13-7-8-15-9-13/h1-4,12-13,15-16H,5-9H2,(H,17,18)
InChIKeyVWLHKTKNENIKHN-UHFFFAOYSA-N
XLogP1.35
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-(cyclopropanecarbonylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453816
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-(1H-pyrrole-3-carbonyl)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454464
N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide (CID 79724165) is N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide is O=C(NC1CC1)c1ccc(NC2CCNC2)cc1.
What is the InChIKey of N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide?
The InChIKey is VWLHKTKNENIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14(17-12-5-6-12)10-1-3-11(4-2-10)16-13-7-8-15-9-13/h1-4,12-13,15-16H,5-9H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide?
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide has a molecular weight of 245.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide is sourced from PubChem (CID 79724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).