N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C18H23N5O2 — CID 74234326

IUPACN-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESO=C(c1ccc(-n2cnnc2)nc1)N(CC1CCC1)CC1CCCO1
InChIInChI=1S/C18H23N5O2/c24-18(15-6-7-17(19-9-15)23-12-20-21-13-23)22(10-14-3-1-4-14)11-16-5-2-8-25-16/h6-7,9,12-14,16H,1-5,8,10-11H2
InChIKeyFRRZQKBWROJILY-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.08
Rot. Bonds6

About N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 74234326) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID74234326
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESO=C(c1ccc(-n2cnnc2)nc1)N(CC1CCC1)CC1CCCO1
InChIInChI=1S/C18H23N5O2/c24-18(15-6-7-17(19-9-15)23-12-20-21-13-23)22(10-14-3-1-4-14)11-16-5-2-8-25-16/h6-7,9,12-14,16H,1-5,8,10-11H2
InChIKeyFRRZQKBWROJILY-UHFFFAOYSA-N
XLogP2.08
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126425817
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
N-(cyclobutylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 50974846
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592
N-[2-(dimethylamino)ethyl]-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74236420
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 74234326) is N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is O=C(c1ccc(-n2cnnc2)nc1)N(CC1CCC1)CC1CCCO1.
What is the InChIKey of N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is FRRZQKBWROJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(15-6-7-17(19-9-15)23-12-20-21-13-23)22(10-14-3-1-4-14)11-16-5-2-8-25-16/h6-7,9,12-14,16H,1-5,8,10-11H2.
What are the key properties of N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74234326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).