N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide

C18H16ClN3O — CID 121239964

IUPACN-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H16ClN3O/c19-15-8-9-17(20-13-15)21-18(23)16(22-10-4-5-11-22)12-14-6-2-1-3-7-14/h1-11,13,16H,12H2,(H,20,21,23)
InChIKeyPRSSDSCQVHUZQU-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.96
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide

N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide (PubChem CID 121239964) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
PubChem CID121239964
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cccc1
InChIInChI=1S/C18H16ClN3O/c19-15-8-9-17(20-13-15)21-18(23)16(22-10-4-5-11-22)12-14-6-2-1-3-7-14/h1-11,13,16H,12H2,(H,20,21,23)
InChIKeyPRSSDSCQVHUZQU-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240820
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
CID 39983445
N-(5-bromo-1,3-thiazol-2-yl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 5308071
3-phenyl-2-pyrrol-1-ylpropanehydrazide
CID 11842321
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
3-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911992
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide (CID 121239964) is N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide is O=C(Nc1ccc(Cl)cn1)C(Cc1ccccc1)n1cccc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
The InChIKey is PRSSDSCQVHUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-8-9-17(20-13-15)21-18(23)16(22-10-4-5-11-22)12-14-6-2-1-3-7-14/h1-11,13,16H,12H2,(H,20,21,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide?
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide has a molecular weight of 325.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 121239964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).