N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide

C17H16N4O — CID 119100867

IUPACN-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C17H16N4O/c22-17(13-21-9-1-2-10-21)20-12-14-3-8-19-16(11-14)15-4-6-18-7-5-15/h1-11H,12-13H2,(H,20,22)
InChIKeyFZBDUIHCCSPLSU-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide

N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide (PubChem CID 119100867) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
PubChem CID119100867
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC NameN-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NCc1ccnc(-c2ccncc2)c1
InChIInChI=1S/C17H16N4O/c22-17(13-21-9-1-2-10-21)20-12-14-3-8-19-16(11-14)15-4-6-18-7-5-15/h1-11H,12-13H2,(H,20,22)
InChIKeyFZBDUIHCCSPLSU-UHFFFAOYSA-N
XLogP2.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 119100870
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
benzyl N-[2-oxo-2-[(2-pyridin-4-yl-4-pyridinyl)methylamino]ethyl]carbamate
CID 121165477
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165562
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165553
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide (CID 119100867) is N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NCc1ccnc(-c2ccncc2)c1.
What is the InChIKey of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
The InChIKey is FZBDUIHCCSPLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(13-21-9-1-2-10-21)20-12-14-3-8-19-16(11-14)15-4-6-18-7-5-15/h1-11H,12-13H2,(H,20,22).
What are the key properties of N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide?
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 119100867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).