6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide

C20H21N5O2 — CID 131904820

IUPAC6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H21N5O2/c1-13-4-6-15-16(9-20(2,3)27-17(15)8-13)24-19(26)14-5-7-18(21-10-14)25-11-22-23-12-25/h4-8,10-12,16H,9H2,1-3H3,(H,24,26)
InChIKeyNTTJDAVQBWWZNP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.00
Rot. Bonds3

About 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide

6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide (PubChem CID 131904820) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
PubChem CID131904820
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(-n2cnnc2)nc1
InChIInChI=1S/C20H21N5O2/c1-13-4-6-15-16(9-20(2,3)27-17(15)8-13)24-19(26)14-5-7-18(21-10-14)25-11-22-23-12-25/h4-8,10-12,16H,9H2,1-3H3,(H,24,26)
InChIKeyNTTJDAVQBWWZNP-UHFFFAOYSA-N
XLogP3.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
5-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)-1,3-oxazole-4-carboxamide
CID 122561508
2-amino-4-methyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyrimidine-5-carboxamide
CID 91795887
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668421
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
CID 119165389
2-methyl-3-nitro-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99995286

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide (CID 131904820) is 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1ccc(-n2cnnc2)nc1.
What is the InChIKey of 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The InChIKey is NTTJDAVQBWWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-4-6-15-16(9-20(2,3)27-17(15)8-13)24-19(26)14-5-7-18(21-10-14)25-11-22-23-12-25/h4-8,10-12,16H,9H2,1-3H3,(H,24,26).
What are the key properties of 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 131904820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).