N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide

C20H22N4O — CID 128992440

IUPACN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H22N4O/c1-24-10-7-17(19(24)16-3-2-8-21-12-16)13-23-20(25)15-5-4-14-6-9-22-18(14)11-15/h2-6,8-9,11-12,17,19,22H,7,10,13H2,1H3,(H,23,25)/t17-,19-/m0/s1
InChIKeyRQLCWKWMFVRKFH-HKUYNNGSSA-N
MW334.42 g/mol
LogP2.99
Rot. Bonds4

About N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide (PubChem CID 128992440) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide
PubChem CID128992440
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide
SMILESCN1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1
InChIInChI=1S/C20H22N4O/c1-24-10-7-17(19(24)16-3-2-8-21-12-16)13-23-20(25)15-5-4-14-6-9-22-18(14)11-15/h2-6,8-9,11-12,17,19,22H,7,10,13H2,1H3,(H,23,25)/t17-,19-/m0/s1
InChIKeyRQLCWKWMFVRKFH-HKUYNNGSSA-N
XLogP2.99
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide (CID 128992440) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide is CN1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1cccnc1.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide?
The InChIKey is RQLCWKWMFVRKFH-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-10-7-17(19(24)16-3-2-8-21-12-16)13-23-20(25)15-5-4-14-6-9-22-18(14)11-15/h2-6,8-9,11-12,17,19,22H,7,10,13H2,1H3,(H,23,25)/t17-,19-/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide?
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 128992440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).