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

C18H20N2O2 — CID 133231370

IUPACN-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1cccnc1)CC(C)(C)O2
InChIInChI=1S/C18H20N2O2/c1-12-6-7-16-14(9-12)15(10-18(2,3)22-16)20-17(21)13-5-4-8-19-11-13/h4-9,11,15H,10H2,1-3H3,(H,20,21)
InChIKeyNCMCUFOBVVGQDH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.42
Rot. Bonds2

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

N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide (PubChem CID 133231370) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
PubChem CID133231370
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)C(NC(=O)c1cccnc1)CC(C)(C)O2
InChIInChI=1S/C18H20N2O2/c1-12-6-7-16-14(9-12)15(10-18(2,3)22-16)20-17(21)13-5-4-8-19-11-13/h4-9,11,15H,10H2,1-3H3,(H,20,21)
InChIKeyNCMCUFOBVVGQDH-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100682281
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 131904820
N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyridine-3-carboxamide
CID 100628157
1-pyridin-4-yl-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133215895
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
1-(3-methyl-2-pyridinyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133215890
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747

Frequently Asked Questions

What is the IUPAC name of N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide (CID 133231370) is N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide is Cc1ccc2c(c1)C(NC(=O)c1cccnc1)CC(C)(C)O2.
What is the InChIKey of N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
The InChIKey is NCMCUFOBVVGQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-6-7-16-14(9-12)15(10-18(2,3)22-16)20-17(21)13-5-4-8-19-11-13/h4-9,11,15H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide?
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133231370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).