N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide

C13H18N2O3 — CID 110125810

IUPACN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccncc1
InChIInChI=1S/C13H18N2O3/c16-11-4-2-1-3-10(12(11)17)15-13(18)9-5-7-14-8-6-9/h5-8,10-12,16-17H,1-4H2,(H,15,18)/t10-,11-,12-/m1/s1
InChIKeyVNQJFCSZKIBIOL-IJLUTSLNSA-N
MW250.30 g/mol
LogP0.48
Rot. Bonds2

About N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide (PubChem CID 110125810) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
PubChem CID110125810
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccncc1
InChIInChI=1S/C13H18N2O3/c16-11-4-2-1-3-10(12(11)17)15-13(18)9-5-7-14-8-6-9/h5-8,10-12,16-17H,1-4H2,(H,15,18)/t10-,11-,12-/m1/s1
InChIKeyVNQJFCSZKIBIOL-IJLUTSLNSA-N
XLogP0.48
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 24819408
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[2-(bromomethyl)cyclohexyl]pyridine-4-carboxamide
CID 106367080
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[(1R,2R)-2-hydroxycyclohexyl]pyridazine-4-carboxamide
CID 104927784
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-1,3-thiazole-5-carboxamide
CID 110125860
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
N-(2-hydroxycyclohexyl)-4-iodobenzamide
CID 62365415
4-bromo-N-(2-hydroxycyclohexyl)benzamide
CID 3294155
4-bromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 27109566

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide (CID 110125810) is N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide is O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide?
The InChIKey is VNQJFCSZKIBIOL-IJLUTSLNSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-11-4-2-1-3-10(12(11)17)15-13(18)9-5-7-14-8-6-9/h5-8,10-12,16-17H,1-4H2,(H,15,18)/t10-,11-,12-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide?
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]pyridine-4-carboxamide is sourced from PubChem (CID 110125810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).