N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H24N4O3 — CID 72900787

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)C2CC(=O)N(Cc3cccnc3)C2)c1C
InChIInChI=1S/C20H24N4O3/c1-13-8-22-17(14(2)19(13)27-3)10-23-20(26)16-7-18(25)24(12-16)11-15-5-4-6-21-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,23,26)
InChIKeyGDTRFETTWFSJMT-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.77
Rot. Bonds6

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72900787) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72900787
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)C2CC(=O)N(Cc3cccnc3)C2)c1C
InChIInChI=1S/C20H24N4O3/c1-13-8-22-17(14(2)19(13)27-3)10-23-20(26)16-7-18(25)24(12-16)11-15-5-4-6-21-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,23,26)
InChIKeyGDTRFETTWFSJMT-UHFFFAOYSA-N
XLogP1.77
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
N-(2,4-dimethoxyphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184040
N-[3-(2-methoxyphenyl)propyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74233936
(3S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 95563342
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72903376
1-[2-(2-methoxyphenoxy)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 75490757
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612
(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28786699
(3R)-N-[2-(N-methylanilino)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97279150

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 72900787) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is COc1c(C)cnc(CNC(=O)C2CC(=O)N(Cc3cccnc3)C2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is GDTRFETTWFSJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-8-22-17(14(2)19(13)27-3)10-23-20(26)16-7-18(25)24(12-16)11-15-5-4-6-21-9-15/h4-6,8-9,16H,7,10-12H2,1-3H3,(H,23,26).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72900787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).