(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide

C25H32N4O3 — CID 97069904

IUPAC(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1=O
InChIInChI=1S/C25H32N4O3/c1-18-4-5-23(32-3)22(14-18)29-17-20(15-24(29)30)25(31)27(2)16-19-8-12-28(13-9-19)21-6-10-26-11-7-21/h4-7,10-11,14,19-20H,8-9,12-13,15-17H2,1-3H3/t20-/m1/s1
InChIKeyLIVHZOVWSRPTJV-HXUWFJFHSA-N
MW436.56 g/mol
LogP3.13
Rot. Bonds6

About (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 97069904) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID97069904
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(C)cc1N1C[C@H](C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1=O
InChIInChI=1S/C25H32N4O3/c1-18-4-5-23(32-3)22(14-18)29-17-20(15-24(29)30)25(31)27(2)16-19-8-12-28(13-9-19)21-6-10-26-11-7-21/h4-7,10-11,14,19-20H,8-9,12-13,15-17H2,1-3H3/t20-/m1/s1
InChIKeyLIVHZOVWSRPTJV-HXUWFJFHSA-N
XLogP3.13
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-(2-methoxy-5-methylphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55641877
1-(2-methoxy-5-methylphenyl)-N-(3-methoxy-2-pyridinyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 71910619
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
(3R)-1-(2-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 38139612
(3R)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 40991014
(3R)-1-(2-methoxy-5-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9455442
(3R)-1-(2,5-dimethoxyphenyl)-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 9396041
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
1-(2-methoxy-5-methylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561638
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxy-5-methylphenyl)pyrrolidin-2-one
CID 17191849
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide (CID 97069904) is (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide is COc1ccc(C)cc1N1C[C@H](C(=O)N(C)CC2CCN(c3ccncc3)CC2)CC1=O.
What is the InChIKey of (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is LIVHZOVWSRPTJV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-18-4-5-23(32-3)22(14-18)29-17-20(15-24(29)30)25(31)27(2)16-19-8-12-28(13-9-19)21-6-10-26-11-7-21/h4-7,10-11,14,19-20H,8-9,12-13,15-17H2,1-3H3/t20-/m1/s1.
What are the key properties of (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxy-5-methylphenyl)-N-methyl-5-oxo-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 97069904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).