N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C14H17N5O4 — CID 166350686

IUPACN-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H17N5O4/c20-5-9-3-10(13(22)12(9)21)18-14(23)8-1-2-16-11(4-8)19-7-15-6-17-19/h1-2,4,6-7,9-10,12-13,20-22H,3,5H2,(H,18,23)/t9-,10-,12-,13+/m0/s1
InChIKeyCMGAWCDDJJCEFZ-XRRVDJEJSA-N
MW319.32 g/mol
LogP-1.51
Rot. Bonds4

About N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 166350686) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID166350686
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC NameN-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H17N5O4/c20-5-9-3-10(13(22)12(9)21)18-14(23)8-1-2-16-11(4-8)19-7-15-6-17-19/h1-2,4,6-7,9-10,12-13,20-22H,3,5H2,(H,18,23)/t9-,10-,12-,13+/m0/s1
InChIKeyCMGAWCDDJJCEFZ-XRRVDJEJSA-N
XLogP-1.51
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 111464008
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75363707
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-fluoro-4-pyrazol-1-ylbenzamide
CID 166350702
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815804
N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94815803
N-(2-acetyl-8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-5-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126775821
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 166350686) is N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(N[C@H]1C[C@@H](CO)[C@H](O)[C@@H]1O)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is CMGAWCDDJJCEFZ-XRRVDJEJSA-N. The full InChI is InChI=1S/C14H17N5O4/c20-5-9-3-10(13(22)12(9)21)18-14(23)8-1-2-16-11(4-8)19-7-15-6-17-19/h1-2,4,6-7,9-10,12-13,20-22H,3,5H2,(H,18,23)/t9-,10-,12-,13+/m0/s1.
What are the key properties of N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of -1.51, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166350686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).