3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea

C18H21N5O3 — CID 118773691

IUPAC3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cn1
InChIInChI=1S/C18H21N5O3/c1-26-17-7-5-14(10-20-17)22-18(25)23(11-13-3-2-8-19-9-13)12-15-4-6-16(24)21-15/h2-3,5,7-10,15H,4,6,11-12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyKKDUKCPPBWSCJH-HNNXBMFYSA-N
MW355.40 g/mol
LogP1.80
Rot. Bonds6

About 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea

3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 118773691) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID118773691
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cn1
InChIInChI=1S/C18H21N5O3/c1-26-17-7-5-14(10-20-17)22-18(25)23(11-13-3-2-8-19-9-13)12-15-4-6-16(24)21-15/h2-3,5,7-10,15H,4,6,11-12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1
InChIKeyKKDUKCPPBWSCJH-HNNXBMFYSA-N
XLogP1.80
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
3-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55835045
N-(3-chloro-4-fluorophenyl)-N'-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 50971008
N-(3-chloro-4-fluorophenyl)-N'-[(5-oxopyrrolidin-2-yl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 75592718
5-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
1-[(5-oxopyrrolidin-2-yl)methyl]-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-4-ylmethyl)urea
CID 156608795
1-[[(2R)-oxolan-2-yl]methyl]-3-(6-piperidin-1-yl-3-pyridinyl)-1-(pyridin-3-ylmethyl)urea
CID 52518364
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
2-butyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 42101579
(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea (CID 118773691) is 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea is COc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCC(=O)N2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is KKDUKCPPBWSCJH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-17-7-5-14(10-20-17)22-18(25)23(11-13-3-2-8-19-9-13)12-15-4-6-16(24)21-15/h2-3,5,7-10,15H,4,6,11-12H2,1H3,(H,21,24)(H,22,25)/t15-/m0/s1.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea?
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 355.40 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 118773691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).