N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide

C22H26N4O — CID 25061925

IUPACN-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccc2c(CN3CCCCC3)c[nH]c2c1
InChIInChI=1S/C22H26N4O/c1-16-6-5-9-23-21(16)14-25-22(27)17-7-8-19-18(13-24-20(19)12-17)15-26-10-3-2-4-11-26/h5-9,12-13,24H,2-4,10-11,14-15H2,1H3,(H,25,27)
InChIKeyYIEQOIAEOMHBPQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.79
Rot. Bonds5

About N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide

N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide (PubChem CID 25061925) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide
PubChem CID25061925
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide
SMILESCc1cccnc1CNC(=O)c1ccc2c(CN3CCCCC3)c[nH]c2c1
InChIInChI=1S/C22H26N4O/c1-16-6-5-9-23-21(16)14-25-22(27)17-7-8-19-18(13-24-20(19)12-17)15-26-10-3-2-4-11-26/h5-9,12-13,24H,2-4,10-11,14-15H2,1H3,(H,25,27)
InChIKeyYIEQOIAEOMHBPQ-UHFFFAOYSA-N
XLogP3.79
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Anamorelin
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Pruvanserin
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LY-517717
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FG-7142
CID 4375
Gsk2816126
CID 68210102
Indoramin hydrochloride
CID 38102
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542
N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
CID 54752945

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide (CID 25061925) is N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide is Cc1cccnc1CNC(=O)c1ccc2c(CN3CCCCC3)c[nH]c2c1.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide?
The InChIKey is YIEQOIAEOMHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-6-5-9-23-21(16)14-25-22(27)17-7-8-19-18(13-24-20(19)12-17)15-26-10-3-2-4-11-26/h5-9,12-13,24H,2-4,10-11,14-15H2,1H3,(H,25,27).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide?
N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-3-(piperidin-1-ylmethyl)-1H-indole-6-carboxamide is sourced from PubChem (CID 25061925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).