N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide

C19H27N3O — CID 95207398

IUPACN-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESCC(C)(C)CN1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H27N3O/c1-19(2,3)13-22-9-7-14(12-22)11-21-18(23)16-4-5-17-15(10-16)6-8-20-17/h4-6,8,10,14,20H,7,9,11-13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyZFNAHDVCOJVDLG-CQSZACIVSA-N
MW313.44 g/mol
LogP3.27
Rot. Bonds4

About N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide

N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 95207398) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
PubChem CID95207398
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC NameN-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESCC(C)(C)CN1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C19H27N3O/c1-19(2,3)13-22-9-7-14(12-22)11-21-18(23)16-4-5-17-15(10-16)6-8-20-17/h4-6,8,10,14,20H,7,9,11-13H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyZFNAHDVCOJVDLG-CQSZACIVSA-N
XLogP3.27
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 131930403
N-(piperidin-3-ylmethyl)-1H-indole-5-carboxamide
CID 55230606
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
N-[[1-(1H-indole-5-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 126779705
N-(cyclobutylmethyl)-1H-indole-6-carboxamide
CID 47190926
4-methoxy-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 94815305
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126916973
N-(oxolan-2-ylmethyl)-1H-indole-5-carboxamide
CID 63717299

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide (CID 95207398) is N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide is CC(C)(C)CN1CC[C@H](CNC(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
The InChIKey is ZFNAHDVCOJVDLG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O/c1-19(2,3)13-22-9-7-14(12-22)11-21-18(23)16-4-5-17-15(10-16)6-8-20-17/h4-6,8,10,14,20H,7,9,11-13H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide?
N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 95207398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).