3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide

C13H15N3O — CID 114182119

IUPAC3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCc1ccccn1)NCc1cc[nH]c1
InChIInChI=1S/C13H15N3O/c17-13(16-10-11-6-8-14-9-11)5-4-12-3-1-2-7-15-12/h1-3,6-9,14H,4-5,10H2,(H,16,17)
InChIKeyKIQCOBAHNVFJQU-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds5

About 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide

3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 114182119) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID114182119
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESO=C(CCc1ccccn1)NCc1cc[nH]c1
InChIInChI=1S/C13H15N3O/c17-13(16-10-11-6-8-14-9-11)5-4-12-3-1-2-7-15-12/h1-3,6-9,14H,4-5,10H2,(H,16,17)
InChIKeyKIQCOBAHNVFJQU-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
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N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
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N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
N-(1H-imidazol-2-yl)-3-pyridin-2-ylpropanamide
CID 78981098
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[2-(propylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 113269953
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
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4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 114182119) is 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide is O=C(CCc1ccccn1)NCc1cc[nH]c1.
What is the InChIKey of 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is KIQCOBAHNVFJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(16-10-11-6-8-14-9-11)5-4-12-3-1-2-7-15-12/h1-3,6-9,14H,4-5,10H2,(H,16,17).
What are the key properties of 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide?
3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 229.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 114182119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).