N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C16H16N6O — CID 91952867

IUPACN-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C16H16N6O/c1-2-21(10-13-5-7-17-8-6-13)16(23)14-3-4-15(18-9-14)22-11-19-20-12-22/h3-9,11-12H,2,10H2,1H3
InChIKeyXNZCHIQFVWVOFG-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.72
Rot. Bonds5

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

N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 91952867) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID91952867
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C16H16N6O/c1-2-21(10-13-5-7-17-8-6-13)16(23)14-3-4-15(18-9-14)22-11-19-20-12-22/h3-9,11-12H,2,10H2,1H3
InChIKeyXNZCHIQFVWVOFG-UHFFFAOYSA-N
XLogP1.72
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180545
N,N-diethyl-6-pyrrol-1-ylpyridine-3-carboxamide
CID 10060343
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 61114914
N-ethyl-4-(2-methyltetrazol-5-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 77089637
3-[ethyl-(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 61006797
5-chloro-N-ethyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62180547
N-benzyl-N-(2-hydroxyethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 110886459
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111970527
N-ethyl-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72910487
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 91952867) is N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is XNZCHIQFVWVOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-2-21(10-13-5-7-17-8-6-13)16(23)14-3-4-15(18-9-14)22-11-19-20-12-22/h3-9,11-12H,2,10H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91952867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).