N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide

C16H17N3O — CID 105068002

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17N3O/c1-17-15-10-18-8-7-14(15)16(20)19-13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4H2,1H3,(H,19,20)
InChIKeyXVIPLWKPFIXRHP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.86
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide (PubChem CID 105068002) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide
PubChem CID105068002
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C16H17N3O/c1-17-15-10-18-8-7-14(15)16(20)19-13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4H2,1H3,(H,19,20)
InChIKeyXVIPLWKPFIXRHP-UHFFFAOYSA-N
XLogP2.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 81239690
N-(3,4-difluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068229
N-(3,5-dimethylphenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068321
N-(2,3-dihydro-1H-inden-5-yl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384126
N-(4-chloro-3-fluorophenyl)-3-(methylamino)pyridine-4-carboxamide
CID 105069465
3-(methylamino)-N-thiophen-3-ylpyridine-4-carboxamide
CID 105070562
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487
N-(6-methoxy-3-pyridinyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068226
1-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylurea
CID 17250078
3-hydroxy-N-(1,2,3,4-tetrahydroquinolin-6-yl)pyridine-4-carboxamide
CID 81445909
ethane;3-(methylamino)pyridine-4-carboxylic acid;1-N,1-N,4-N-trimethyl-4-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,4-diamine
CID 144987163
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide (CID 105068002) is N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide is CNc1cnccc1C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide?
The InChIKey is XVIPLWKPFIXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-17-15-10-18-8-7-14(15)16(20)19-13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).