N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide

C12H13N3O — CID 110690817

IUPACN-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Cc1ccc[nH]1)NCc1ccncc1
InChIInChI=1S/C12H13N3O/c16-12(8-11-2-1-5-14-11)15-9-10-3-6-13-7-4-10/h1-7,14H,8-9H2,(H,15,16)
InChIKeySIEXQVDOHDXICD-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.27
Rot. Bonds4

About N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide

N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide (PubChem CID 110690817) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
PubChem CID110690817
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Cc1ccc[nH]1)NCc1ccncc1
InChIInChI=1S/C12H13N3O/c16-12(8-11-2-1-5-14-11)15-9-10-3-6-13-7-4-10/h1-7,14H,8-9H2,(H,15,16)
InChIKeySIEXQVDOHDXICD-UHFFFAOYSA-N
XLogP1.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 110690812
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
4-hydroxy-N-(pyridin-4-ylmethyl)butanamide
CID 79002356
2,6-dihydroxy-N-(pyridin-4-ylmethyl)benzamide
CID 113254463
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-(1H-pyrrol-2-ylmethyl)-2-sulfanylacetamide
CID 115167176
2-azido-N-(pyridin-4-ylmethyl)acetamide
CID 112708135
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 112993174
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-2-yl)acetamide
CID 115272021

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide (CID 110690817) is N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide is O=C(Cc1ccc[nH]1)NCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide?
The InChIKey is SIEXQVDOHDXICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(8-11-2-1-5-14-11)15-9-10-3-6-13-7-4-10/h1-7,14H,8-9H2,(H,15,16).
What are the key properties of N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide?
N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 110690817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).