N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

C17H25N3O3 — CID 75367110

IUPACN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C17H25N3O3/c21-16-14(20-13-4-2-1-3-5-13)11-23-15(16)10-19-17(22)12-6-8-18-9-7-12/h6-9,13-16,20-21H,1-5,10-11H2,(H,19,22)/t14-,15-,16+/m1/s1
InChIKeySJHKLURYDSSIRF-OAGGEKHMSA-N
MW319.40 g/mol
LogP0.86
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75367110) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75367110
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C17H25N3O3/c21-16-14(20-13-4-2-1-3-5-13)11-23-15(16)10-19-17(22)12-6-8-18-9-7-12/h6-9,13-16,20-21H,1-5,10-11H2,(H,19,22)/t14-,15-,16+/m1/s1
InChIKeySJHKLURYDSSIRF-OAGGEKHMSA-N
XLogP0.86
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75367110) is N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCCCC2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is SJHKLURYDSSIRF-OAGGEKHMSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16-14(20-13-4-2-1-3-5-13)11-23-15(16)10-19-17(22)12-6-8-18-9-7-12/h6-9,13-16,20-21H,1-5,10-11H2,(H,19,22)/t14-,15-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(cyclohexylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75367110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).