ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

C22H27N3O2 — CID 144881175

IUPACethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESC.CC.NC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C19H17N3O2.C2H6.CH4/c20-19(24)17-10-16(11-21-12-17)9-14-4-6-15(7-5-14)13-22-8-2-1-3-18(22)23;1-2;/h1-8,10-12H,9,13H2,(H2,20,24);1-2H3;1H4
InChIKeyYFSGQEKWESQEHP-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.64
Rot. Bonds5

About ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 144881175) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID144881175
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Nameethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESC.CC.NC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C19H17N3O2.C2H6.CH4/c20-19(24)17-10-16(11-21-12-17)9-14-4-6-15(7-5-14)13-22-8-2-1-3-18(22)23;1-2;/h1-8,10-12H,9,13H2,(H2,20,24);1-2H3;1H4
InChIKeyYFSGQEKWESQEHP-UHFFFAOYSA-N
XLogP3.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 175301664
tert-butyl N-[[4-[[1-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]ethenylamino]methyl]phenyl]methyl]carbamate
CID 118220509
N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
CID 144880972
CID 144880972
1-[[4-[[5-[4-(5-chloro-2H-indazol-3-yl)-2,3-dimethylbutanoyl]-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
CID 123606457
N-[(E)-2-(4-chloro-2-methylphenyl)pent-2-enyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 144881429
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
3-[4-[(2-oxo-1-pyridinyl)methyl]phenoxy]benzamide
CID 123738994
1-[[2,5-dichloro-4-[[5-(2-ethylcyclopropanecarbonyl)-3-pyridinyl]methyl]phenyl]methyl]pyridin-2-one
CID 144881340
methyl 2-[[(3Z)-4-amino-2-imino-3-methylhexa-3,5-dienoyl]amino]-2-[5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-pyridinyl]acetate
CID 144881428
methyl 4-[(2-oxo-1-pyridinyl)methyl]benzoate
CID 28833817

Frequently Asked Questions

What is the IUPAC name of ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 144881175) is ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is C.CC.NC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is YFSGQEKWESQEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2.C2H6.CH4/c20-19(24)17-10-16(11-21-12-17)9-14-4-6-15(7-5-14)13-22-8-2-1-3-18(22)23;1-2;/h1-8,10-12H,9,13H2,(H2,20,24);1-2H3;1H4.
What are the key properties of ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?
ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 144881175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).