N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C27H30N4O2 — CID 177170024

IUPACN,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4C[C@H](c5ccccc5)CN4)C3)cc2[nH]1
InChIInChI=1S/C27H30N4O2/c1-30(2)26(32)25-14-20-11-10-19(13-23(20)29-25)21-9-6-12-31(17-21)27(33)24-15-22(16-28-24)18-7-4-3-5-8-18/h3-5,7-11,13-14,22,24,28-29H,6,12,15-17H2,1-2H3/t22-,24-/m0/s1
InChIKeyZPIUPMHYUYBBBS-UPVQGACJSA-N
MW442.56 g/mol
LogP3.63
Rot. Bonds4

About N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177170024) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177170024
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4C[C@H](c5ccccc5)CN4)C3)cc2[nH]1
InChIInChI=1S/C27H30N4O2/c1-30(2)26(32)25-14-20-11-10-19(13-23(20)29-25)21-9-6-12-31(17-21)27(33)24-15-22(16-28-24)18-7-4-3-5-8-18/h3-5,7-11,13-14,22,24,28-29H,6,12,15-17H2,1-2H3/t22-,24-/m0/s1
InChIKeyZPIUPMHYUYBBBS-UPVQGACJSA-N
XLogP3.63
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177170024) is N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4C[C@H](c5ccccc5)CN4)C3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is ZPIUPMHYUYBBBS-UPVQGACJSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-30(2)26(32)25-14-20-11-10-19(13-23(20)29-25)21-9-6-12-31(17-21)27(33)24-15-22(16-28-24)18-7-4-3-5-8-18/h3-5,7-11,13-14,22,24,28-29H,6,12,15-17H2,1-2H3/t22-,24-/m0/s1.
What are the key properties of N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177170024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).