N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide

C18H20N4O2 — CID 120613024

IUPACN-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C18H20N4O2/c19-15-4-2-1-3-12(15)7-10-17(23)21-14-8-9-16(20-11-14)22-18(24)13-5-6-13/h1-4,8-9,11,13H,5-7,10,19H2,(H,21,23)(H,20,22,24)
InChIKeyNBYLTYKFMFGAFG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.58
Rot. Bonds6

About N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 120613024) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID120613024
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C18H20N4O2/c19-15-4-2-1-3-12(15)7-10-17(23)21-14-8-9-16(20-11-14)22-18(24)13-5-6-13/h1-4,8-9,11,13H,5-7,10,19H2,(H,21,23)(H,20,22,24)
InChIKeyNBYLTYKFMFGAFG-UHFFFAOYSA-N
XLogP2.58
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[4-[1-[3-(2-aminophenyl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 120609013
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
3-(2-aminophenyl)-N-[4-(cyclopropylmethoxy)phenyl]propanamide;hydrochloride
CID 120610801
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011542
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 91643425
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
N-(6-amino-3-pyridinyl)-3-(2-methylphenyl)propanamide
CID 62901141

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide (CID 120613024) is N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide is Nc1ccccc1CCC(=O)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is NBYLTYKFMFGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-15-4-2-1-3-12(15)7-10-17(23)21-14-8-9-16(20-11-14)22-18(24)13-5-6-13/h1-4,8-9,11,13H,5-7,10,19H2,(H,21,23)(H,20,22,24).
What are the key properties of N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 120613024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).