N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride

C24H30ClN3O4 — CID 139945135

IUPACN-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCc4ccccc43)n2)cc1N(C)C.Cl.O.O
InChIInChI=1S/C24H25N3O2.ClH.2H2O/c1-27(2)22-15-17(12-14-23(22)29-3)19-9-6-10-21(25-19)24(28)26-20-13-11-16-7-4-5-8-18(16)20;;;/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,26,28);1H;2*1H2
InChIKeyLPVYJMSSULPANL-UHFFFAOYSA-N
MW459.97 g/mol
LogP3.01
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride

N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride (PubChem CID 139945135) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride
PubChem CID139945135
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride
SMILESCOc1ccc(-c2cccc(C(=O)NC3CCc4ccccc43)n2)cc1N(C)C.Cl.O.O
InChIInChI=1S/C24H25N3O2.ClH.2H2O/c1-27(2)22-15-17(12-14-23(22)29-3)19-9-6-10-21(25-19)24(28)26-20-13-11-16-7-4-5-8-18(16)20;;;/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,26,28);1H;2*1H2
InChIKeyLPVYJMSSULPANL-UHFFFAOYSA-N
XLogP3.01
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-aminopyrimidin-5-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 125010026
N-(2,3-dihydro-1H-inden-1-yl)-3-(dimethylamino)benzamide
CID 51281191
6-[(3aR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-N-[(1R)-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 163458464
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
CID 92772032
N-(2,3-dihydro-1H-inden-1-yl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824293
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
4-(2-amino-2-oxoethoxy)-3-chloro-N-(2,3-dihydro-1H-inden-1-yl)-5-methoxybenzamide
CID 51316375
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086936
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-(2-methylpropylsulfamoyl)benzamide
CID 20649308

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride (CID 139945135) is N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride is COc1ccc(-c2cccc(C(=O)NC3CCc4ccccc43)n2)cc1N(C)C.Cl.O.O.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride?
The InChIKey is LPVYJMSSULPANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.ClH.2H2O/c1-27(2)22-15-17(12-14-23(22)29-3)19-9-6-10-21(25-19)24(28)26-20-13-11-16-7-4-5-8-18(16)20;;;/h4-10,12,14-15,20H,11,13H2,1-3H3,(H,26,28);1H;2*1H2.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride?
N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride has a molecular weight of 459.97 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-6-[3-(dimethylamino)-4-methoxyphenyl]pyridine-2-carboxamide;dihydrate;hydrochloride is sourced from PubChem (CID 139945135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).