1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

C19H29N3O3 — CID 129381997

IUPAC1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)C1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-14(16-7-10-24-11-8-16)22-19(23)21-13-15-6-9-20-18(12-15)25-17-4-2-3-5-17/h6,9,12,14,16-17H,2-5,7-8,10-11,13H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeySNTUFEOOBJJCIW-AWEZNQCLSA-N
MW347.46 g/mol
LogP3.02
Rot. Bonds6

About 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (PubChem CID 129381997) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
PubChem CID129381997
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)C1CCOCC1
InChIInChI=1S/C19H29N3O3/c1-14(16-7-10-24-11-8-16)22-19(23)21-13-15-6-9-20-18(12-15)25-17-4-2-3-5-17/h6,9,12,14,16-17H,2-5,7-8,10-11,13H2,1H3,(H2,21,22,23)/t14-/m0/s1
InChIKeySNTUFEOOBJJCIW-AWEZNQCLSA-N
XLogP3.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (CID 129381997) is 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is C[C@H](NC(=O)NCc1ccnc(OC2CCCC2)c1)C1CCOCC1.
What is the InChIKey of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is SNTUFEOOBJJCIW-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(16-7-10-24-11-8-16)22-19(23)21-13-15-6-9-20-18(12-15)25-17-4-2-3-5-17/h6,9,12,14,16-17H,2-5,7-8,10-11,13H2,1H3,(H2,21,22,23)/t14-/m0/s1.
What are the key properties of 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 347.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 129381997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).