4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide

C11H14N6O — CID 113413228

IUPAC4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCn1ccnn1
InChIInChI=1S/C11H14N6O/c1-12-10-2-3-13-8-9(10)11(18)14-4-6-17-7-5-15-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,12,13)(H,14,18)
InChIKeyLTVWAXCHNBYSMM-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.14
Rot. Bonds5

About 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide

4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 113413228) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID113413228
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)NCCn1ccnn1
InChIInChI=1S/C11H14N6O/c1-12-10-2-3-13-8-9(10)11(18)14-4-6-17-7-5-15-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,12,13)(H,14,18)
InChIKeyLTVWAXCHNBYSMM-UHFFFAOYSA-N
XLogP0.14
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydrazinyl-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105072445
3-fluoro-2-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-4-carboxamide
CID 105387292
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
N-[3-(methanesulfonamido)propyl]-4-(methylamino)pyridine-3-carboxamide
CID 106342407
3-amino-2-methyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 113412348
4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81242256
4-bromo-2-sulfanyl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 107034780
4-(methylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81235207
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 166387441
2-chloro-N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 122570554
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245145
4-(methylamino)-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106897669

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide (CID 113413228) is 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide is CNc1ccncc1C(=O)NCCn1ccnn1.
What is the InChIKey of 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LTVWAXCHNBYSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-12-10-2-3-13-8-9(10)11(18)14-4-6-17-7-5-15-16-17/h2-3,5,7-8H,4,6H2,1H3,(H,12,13)(H,14,18).
What are the key properties of 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide?
4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(triazol-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113413228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).