1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea

C20H26N4O2 — CID 75368878

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea
SMILESCCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C20H26N4O2/c1-2-23-12-4-6-18(23)15-24(14-16-7-9-19(25)10-8-16)20(26)22-17-5-3-11-21-13-17/h3,5,7-11,13,18,25H,2,4,6,12,14-15H2,1H3,(H,22,26)
InChIKeyVDEGDRLPCUPRNH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds6

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea

1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea (PubChem CID 75368878) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea
PubChem CID75368878
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea
SMILESCCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)Nc1cccnc1
InChIInChI=1S/C20H26N4O2/c1-2-23-12-4-6-18(23)15-24(14-16-7-9-19(25)10-8-16)20(26)22-17-5-3-11-21-13-17/h3,5,7-11,13,18,25H,2,4,6,12,14-15H2,1H3,(H,22,26)
InChIKeyVDEGDRLPCUPRNH-UHFFFAOYSA-N
XLogP3.31
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-hydroxyphenyl)methyl]urea
CID 52507884
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
N-(2-aminophenyl)-4-[[[4-(dimethylamino)phenyl]carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]methyl]benzamide
CID 58001057
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-b]pyridine-2-carboxamide
CID 126800848
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-3-phenylurea
CID 1437586
1-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-1-methyl-3-pyridin-3-ylurea
CID 128965192
tert-butyl N-[2-[[4-[[[4-(dimethylamino)phenyl]carbamoyl-[(1-ethylpyrrolidin-2-yl)methyl]amino]methyl]benzoyl]amino]phenyl]carbamate
CID 58001091
1-benzyl-1-[2-(diethylamino)ethyl]-3-pyridin-3-ylurea
CID 60591438
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 1462366
1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 124755518
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-(4-fluorophenyl)-1-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]urea
CID 3195061
1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylurea
CID 3194547

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea (CID 75368878) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea is CCN1CCCC1CN(Cc1ccc(O)cc1)C(=O)Nc1cccnc1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea?
The InChIKey is VDEGDRLPCUPRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-23-12-4-6-18(23)15-24(14-16-7-9-19(25)10-8-16)20(26)22-17-5-3-11-21-13-17/h3,5,7-11,13,18,25H,2,4,6,12,14-15H2,1H3,(H,22,26).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea?
1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea has a molecular weight of 354.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-1-[(4-hydroxyphenyl)methyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 75368878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).