N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide

C17H19N3O — CID 93375712

IUPACN-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H19N3O/c1-12(13-5-8-18-9-6-13)20(2)17(21)15-3-4-16-14(11-15)7-10-19-16/h3-6,8-9,11-12,19H,7,10H2,1-2H3/t12-/m0/s1
InChIKeyCOJQNZUFEFVSLS-LBPRGKRZSA-N
MW281.36 g/mol
LogP2.88
Rot. Bonds3

About N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide

N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 93375712) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID93375712
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESC[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H19N3O/c1-12(13-5-8-18-9-6-13)20(2)17(21)15-3-4-16-14(11-15)7-10-19-16/h3-6,8-9,11-12,19H,7,10H2,1-2H3/t12-/m0/s1
InChIKeyCOJQNZUFEFVSLS-LBPRGKRZSA-N
XLogP2.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
N-methyl-N-(1-pyridin-4-ylethyl)-7,8-dihydronaphthalene-2-carboxamide
CID 102563215
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
N-methyl-N-(1-pyridin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 60571196
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
4-acetamido-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 60571357
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 93375712) is N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide is C[C@@H](c1ccncc1)N(C)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is COJQNZUFEFVSLS-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(13-5-8-18-9-6-13)20(2)17(21)15-3-4-16-14(11-15)7-10-19-16/h3-6,8-9,11-12,19H,7,10H2,1-2H3/t12-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 93375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).