1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea

C19H23N5O — CID 167895942

IUPAC1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea
SMILESO=C(Nc1cnc2c(c1)CCC2)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H23N5O/c25-19(23-16-12-14-2-1-3-18(14)21-13-16)22-15-6-10-24(11-7-15)17-4-8-20-9-5-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11H2,(H2,22,23,25)
InChIKeyANAPBNKDWTWYJE-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.76
Rot. Bonds3

About 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea (PubChem CID 167895942) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea
PubChem CID167895942
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea
SMILESO=C(Nc1cnc2c(c1)CCC2)NC1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H23N5O/c25-19(23-16-12-14-2-1-3-18(14)21-13-16)22-15-6-10-24(11-7-15)17-4-8-20-9-5-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11H2,(H2,22,23,25)
InChIKeyANAPBNKDWTWYJE-UHFFFAOYSA-N
XLogP2.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
CID 129347498
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
8-[[(3-chloro-4-methylphenyl)carbamoylamino]methyl]-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 123685904
1-cyclopropyl-3-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]urea
CID 113016721
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
4-[4-(phenylcarbamoylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 133468526
3-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030616

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea (CID 167895942) is 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea is O=C(Nc1cnc2c(c1)CCC2)NC1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea?
The InChIKey is ANAPBNKDWTWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-19(23-16-12-14-2-1-3-18(14)21-13-16)22-15-6-10-24(11-7-15)17-4-8-20-9-5-17/h4-5,8-9,12-13,15H,1-3,6-7,10-11H2,(H2,22,23,25).
What are the key properties of 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea?
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea has a molecular weight of 337.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-3-(1-pyridin-4-ylpiperidin-4-yl)urea is sourced from PubChem (CID 167895942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).