(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

C17H15ClN2O — CID 167974884

IUPAC(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1c(Cl)cncc1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O/c1-12-15(9-19-10-16(12)18)17(21)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3
InChIKeyQEVXEMPPWOXCPU-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.58
Rot. Bonds2

About (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone

(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (PubChem CID 167974884) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
PubChem CID167974884
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
SMILESCc1c(Cl)cncc1C(=O)N1CC=C(c2ccccc2)C1
InChIInChI=1S/C17H15ClN2O/c1-12-15(9-19-10-16(12)18)17(21)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3
InChIKeyQEVXEMPPWOXCPU-UHFFFAOYSA-N
XLogP3.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
(4-chloro-1H-pyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167843808
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
(3-methyl-2H-indazol-5-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 154852634
[5-(5-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-3-pyridinyl]-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154837601
2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166205095
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
tert-butyl 3-phenyl-2,5-dihydropyrrole-1-carboxylate
CID 58641264
[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 136521683
1-(5-chloro-4-methyl-3-pyridinyl)-2-methylpropan-1-one
CID 112713085
[1-(4-chlorophenyl)cyclopropyl]-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 66662142
3-phenyl-N-(pyridin-3-ylmethyl)-2,5-dihydropyrrole-1-carboxamide
CID 166204346

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The IUPAC name of (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone (CID 167974884) is (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone.
What is the SMILES notation for (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The canonical SMILES for (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is Cc1c(Cl)cncc1C(=O)N1CC=C(c2ccccc2)C1.
What is the InChIKey of (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
The InChIKey is QEVXEMPPWOXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-12-15(9-19-10-16(12)18)17(21)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-7,9-10H,8,11H2,1H3.
What are the key properties of (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone?
(5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone has a molecular weight of 298.77 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methyl-3-pyridinyl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone is sourced from PubChem (CID 167974884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).