N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide

C24H24N6O — CID 67960112

IUPACN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1
InChIInChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31)
InChIKeyRRMRFFMYLWVBOZ-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.80
Rot. Bonds4

About N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide

N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide (PubChem CID 67960112) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
PubChem CID67960112
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
SMILESNC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1
InChIInChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31)
InChIKeyRRMRFFMYLWVBOZ-UHFFFAOYSA-N
XLogP3.80
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[5-(2,4-difluorohexa-2,4-dien-3-yl)-1H-indol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 123503153
N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-inden-5-yl]propanamide
CID 159192737
(3S)-1-[(S)-(5-benzamido-1H-indol-3-yl)-carboxymethyl]piperidine-3-carboxylic acid
CID 51695829
N-[3-(1H-indol-3-yl)-4-methylphenyl]benzamide
CID 102266591
(2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 51721906
2-(5-benzamido-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 45495903
N-(3-formyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 150453175
2-(5-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-yl)acetic acid
CID 42654626
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144
N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10074319
4-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987844
(2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]acetic acid
CID 39033906

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The IUPAC name of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide (CID 67960112) is N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide.
What is the SMILES notation for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The canonical SMILES for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide is NC1CCN(c2cncc(-c3c[nH]c4ccc(NC(=O)c5ccccc5)cc34)n2)CC1.
What is the InChIKey of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
The InChIKey is RRMRFFMYLWVBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c25-17-8-10-30(11-9-17)23-15-26-14-22(29-23)20-13-27-21-7-6-18(12-19(20)21)28-24(31)16-4-2-1-3-5-16/h1-7,12-15,17,27H,8-11,25H2,(H,28,31).
What are the key properties of N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide?
N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide has a molecular weight of 412.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide is sourced from PubChem (CID 67960112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).