3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile

C15H17N5O — CID 154800415

IUPAC3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H17N5O/c16-7-12-1-2-17-8-14(12)19-13-5-11(6-15(13)21)9-20-4-3-18-10-20/h1-4,8,10-11,13,15,19,21H,5-6,9H2/t11?,13-,15-/m1/s1
InChIKeyMSDXVKILIISYOD-IIWDCPNDSA-N
MW283.33 g/mol
LogP1.40
Rot. Bonds4

About 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile

3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile (PubChem CID 154800415) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
PubChem CID154800415
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H17N5O/c16-7-12-1-2-17-8-14(12)19-13-5-11(6-15(13)21)9-20-4-3-18-10-20/h1-4,8,10-11,13,15,19,21H,5-6,9H2/t11?,13-,15-/m1/s1
InChIKeyMSDXVKILIISYOD-IIWDCPNDSA-N
XLogP1.40
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile (CID 154800415) is 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile is N#Cc1ccncc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile?
The InChIKey is MSDXVKILIISYOD-IIWDCPNDSA-N. The full InChI is InChI=1S/C15H17N5O/c16-7-12-1-2-17-8-14(12)19-13-5-11(6-15(13)21)9-20-4-3-18-10-20/h1-4,8,10-11,13,15,19,21H,5-6,9H2/t11?,13-,15-/m1/s1.
What are the key properties of 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile?
3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 154800415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).