N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide

C12H16N4O2 — CID 119879406

IUPACN-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
SMILESNCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C12H16N4O2/c13-6-5-11(17)15-9-3-4-10(14-7-9)16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,13H2,(H,15,17)(H,14,16,18)
InChIKeyUUGKMXKFCFGRRG-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.72
Rot. Bonds5

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

N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 119879406) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID119879406
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
SMILESNCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C12H16N4O2/c13-6-5-11(17)15-9-3-4-10(14-7-9)16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,13H2,(H,15,17)(H,14,16,18)
InChIKeyUUGKMXKFCFGRRG-UHFFFAOYSA-N
XLogP0.72
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[3-(2-aminophenyl)propanoylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 120613024
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879379
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 119879398
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113027169
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879397
N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 167942183

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide (CID 119879406) is N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide is NCCC(=O)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is UUGKMXKFCFGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-6-5-11(17)15-9-3-4-10(14-7-9)16-12(18)8-1-2-8/h3-4,7-8H,1-2,5-6,13H2,(H,15,17)(H,14,16,18).
What are the key properties of N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 119879406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).