1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea

C18H20N6O — CID 146690874

IUPAC1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C18H20N6O/c25-18(23-14-3-2-8-19-11-14)22-13-6-9-24(10-7-13)17-15-4-1-5-16(15)20-12-21-17/h1-4,8,11-13H,5-7,9-10H2,(H2,22,23,25)
InChIKeyQGAXXLAAFWEWOZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.23
Rot. Bonds3

About 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea

1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea (PubChem CID 146690874) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea
PubChem CID146690874
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)NC1CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C18H20N6O/c25-18(23-14-3-2-8-19-11-14)22-13-6-9-24(10-7-13)17-15-4-1-5-16(15)20-12-21-17/h1-4,8,11-13H,5-7,9-10H2,(H2,22,23,25)
InChIKeyQGAXXLAAFWEWOZ-UHFFFAOYSA-N
XLogP2.23
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclobutyl-3-pyridin-3-ylurea
CID 115617592
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 157152679
1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 157179534
1-[(3R)-1-methylpyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 59781432
1-[1-(3-chloro-4-cyclohexyloxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950692
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660
1-[1-[3-chloro-4-(3-chloro-4-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950691
1-[1-[3-chloro-4-(4-chloro-3-methoxyphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 165040043
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
1-[1-[3-chloro-4-(4-methoxy-2-methylphenoxy)-2-pyridinyl]piperidin-4-yl]-3-pyridin-3-ylurea
CID 164950694
1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-3-phenylurea
CID 91648209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea (CID 146690874) is 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea is O=C(Nc1cccnc1)NC1CCN(c2ncnc3c2C=CC3)CC1.
What is the InChIKey of 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
The InChIKey is QGAXXLAAFWEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c25-18(23-14-3-2-8-19-11-14)22-13-6-9-24(10-7-13)17-15-4-1-5-16(15)20-12-21-17/h1-4,8,11-13H,5-7,9-10H2,(H2,22,23,25).
What are the key properties of 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea?
1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea has a molecular weight of 336.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-3-pyridin-3-ylurea is sourced from PubChem (CID 146690874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).