N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C14H17N5O2 — CID 111464008

IUPACN-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H17N5O2/c20-12-3-1-2-11(12)7-17-14(21)10-4-5-16-13(6-10)19-9-15-8-18-19/h4-6,8-9,11-12,20H,1-3,7H2,(H,17,21)
InChIKeyBBNUFSDCXJUPJQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.55
Rot. Bonds4

About N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 111464008) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID111464008
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NCC1CCCC1O)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C14H17N5O2/c20-12-3-1-2-11(12)7-17-14(21)10-4-5-16-13(6-10)19-9-15-8-18-19/h4-6,8-9,11-12,20H,1-3,7H2,(H,17,21)
InChIKeyBBNUFSDCXJUPJQ-UHFFFAOYSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(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-[(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091886
N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94506490
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 119424585
N-(3-amino-1-cyclohexyl-3-oxopropyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 126778692
N-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 166350686
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-(2-amino-1-cyclohexylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119589222
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091850
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 111464008) is N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NCC1CCCC1O)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is BBNUFSDCXJUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-12-3-1-2-11(12)7-17-14(21)10-4-5-16-13(6-10)19-9-15-8-18-19/h4-6,8-9,11-12,20H,1-3,7H2,(H,17,21).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 111464008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).