N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C20H31N5O — CID 146395195

IUPACN-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC3NC(CN(C)C)CN3C1)C2
InChIInChI=1S/C20H31N5O/c1-13-5-4-6-14-9-17(23-19(13)14)20(26)22-15-7-8-18-21-16(10-24(2)3)12-25(18)11-15/h4-6,15-18,21,23H,7-12H2,1-3H3,(H,22,26)
InChIKeyHDHLXFIEDORDJL-UHFFFAOYSA-N
MW357.50 g/mol
LogP0.77
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146395195) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146395195
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC NameN-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NC1CCC3NC(CN(C)C)CN3C1)C2
InChIInChI=1S/C20H31N5O/c1-13-5-4-6-14-9-17(23-19(13)14)20(26)22-15-7-8-18-21-16(10-24(2)3)12-25(18)11-15/h4-6,15-18,21,23H,7-12H2,1-3H3,(H,22,26)
InChIKeyHDHLXFIEDORDJL-UHFFFAOYSA-N
XLogP0.77
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395012
7-methyl-N-[4-[(2-piperidin-3-ylacetyl)amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146644503
N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394841
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
N-[6-[4-(2-aminoethylamino)piperidin-1-yl]-4-[(4Z)-cyclooct-4-en-1-yl]piperidin-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395152
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
7-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395128
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 146395282
4-(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxamide
CID 146395501

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146395195) is N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NC1CCC3NC(CN(C)C)CN3C1)C2.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is HDHLXFIEDORDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-13-5-4-6-14-9-17(23-19(13)14)20(26)22-15-7-8-18-21-16(10-24(2)3)12-25(18)11-15/h4-6,15-18,21,23H,7-12H2,1-3H3,(H,22,26).
What are the key properties of N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146395195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).