[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid

C18H18N2O3 — CID 141281868

IUPAC[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3ccc(C4(O)CC4)cc3)cn2)CC1
InChIInChI=1S/C18H18N2O3/c21-16(22)20-17(7-8-17)15-6-3-13(11-19-15)12-1-4-14(5-2-12)18(23)9-10-18/h1-6,11,20,23H,7-10H2,(H,21,22)
InChIKeyJKMVUDNREABORY-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.99
Rot. Bonds4

About [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid

[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid (PubChem CID 141281868) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid
PubChem CID141281868
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid
SMILESO=C(O)NC1(c2ccc(-c3ccc(C4(O)CC4)cc3)cn2)CC1
InChIInChI=1S/C18H18N2O3/c21-16(22)20-17(7-8-17)15-6-3-13(11-19-15)12-1-4-14(5-2-12)18(23)9-10-18/h1-6,11,20,23H,7-10H2,(H,21,22)
InChIKeyJKMVUDNREABORY-UHFFFAOYSA-N
XLogP2.99
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid (CID 141281868) is [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid is O=C(O)NC1(c2ccc(-c3ccc(C4(O)CC4)cc3)cn2)CC1.
What is the InChIKey of [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid?
The InChIKey is JKMVUDNREABORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16(22)20-17(7-8-17)15-6-3-13(11-19-15)12-1-4-14(5-2-12)18(23)9-10-18/h1-6,11,20,23H,7-10H2,(H,21,22).
What are the key properties of [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid?
[1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid has a molecular weight of 310.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[4-(1-hydroxycyclopropyl)phenyl]-2-pyridinyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 141281868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).