1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea

C18H20N4O — CID 138054479

IUPAC1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea
SMILESO=C(Nc1ccc2c(n1)CCC2)NC(c1ccccn1)C1CC1
InChIInChI=1S/C18H20N4O/c23-18(21-16-10-9-12-4-3-6-14(12)20-16)22-17(13-7-8-13)15-5-1-2-11-19-15/h1-2,5,9-11,13,17H,3-4,6-8H2,(H2,20,21,22,23)
InChIKeyVJWTZUOWECSDHV-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.24
Rot. Bonds4

About 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea

1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea (PubChem CID 138054479) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea
PubChem CID138054479
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea
SMILESO=C(Nc1ccc2c(n1)CCC2)NC(c1ccccn1)C1CC1
InChIInChI=1S/C18H20N4O/c23-18(21-16-10-9-12-4-3-6-14(12)20-16)22-17(13-7-8-13)15-5-1-2-11-19-15/h1-2,5,9-11,13,17H,3-4,6-8H2,(H2,20,21,22,23)
InChIKeyVJWTZUOWECSDHV-UHFFFAOYSA-N
XLogP3.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea?
The IUPAC name of 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea (CID 138054479) is 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea.
What is the SMILES notation for 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea?
The canonical SMILES for 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea is O=C(Nc1ccc2c(n1)CCC2)NC(c1ccccn1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea?
The InChIKey is VJWTZUOWECSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-18(21-16-10-9-12-4-3-6-14(12)20-16)22-17(13-7-8-13)15-5-1-2-11-19-15/h1-2,5,9-11,13,17H,3-4,6-8H2,(H2,20,21,22,23).
What are the key properties of 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea?
1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea has a molecular weight of 308.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(pyridin-2-yl)methyl]-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)urea is sourced from PubChem (CID 138054479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).