4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol

C15H19N3O — CID 141382700

IUPAC4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccc(-c3ccc[nH]3)cn2)CC1
InChIInChI=1S/C15H19N3O/c16-12-5-7-15(19,8-6-12)14-4-3-11(10-18-14)13-2-1-9-17-13/h1-4,9-10,12,17,19H,5-8,16H2
InChIKeyKYYDPJZYPKRTKF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds2

About 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol

4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol (PubChem CID 141382700) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol
PubChem CID141382700
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol
SMILESNC1CCC(O)(c2ccc(-c3ccc[nH]3)cn2)CC1
InChIInChI=1S/C15H19N3O/c16-12-5-7-15(19,8-6-12)14-4-3-11(10-18-14)13-2-1-9-17-13/h1-4,9-10,12,17,19H,5-8,16H2
InChIKeyKYYDPJZYPKRTKF-UHFFFAOYSA-N
XLogP2.17
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol?
The IUPAC name of 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol (CID 141382700) is 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol is NC1CCC(O)(c2ccc(-c3ccc[nH]3)cn2)CC1.
What is the InChIKey of 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol?
The InChIKey is KYYDPJZYPKRTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-12-5-7-15(19,8-6-12)14-4-3-11(10-18-14)13-2-1-9-17-13/h1-4,9-10,12,17,19H,5-8,16H2.
What are the key properties of 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol?
4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol has a molecular weight of 257.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(1H-pyrrol-2-yl)-2-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 141382700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).