1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide

C20H23N5O — CID 126429000

IUPAC1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)n(C)c2c1
InChIInChI=1S/C20H23N5O/c1-14-5-6-15-11-18(24(2)17(15)10-14)20(26)23-16-4-3-9-25(13-16)19-12-21-7-8-22-19/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyKBUXTRXWXMKECN-MRXNPFEDSA-N
MW349.44 g/mol
LogP2.68
Rot. Bonds3

About 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide

1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide (PubChem CID 126429000) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
PubChem CID126429000
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)n(C)c2c1
InChIInChI=1S/C20H23N5O/c1-14-5-6-15-11-18(24(2)17(15)10-14)20(26)23-16-4-3-9-25(13-16)19-12-21-7-8-22-19/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyKBUXTRXWXMKECN-MRXNPFEDSA-N
XLogP2.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449447
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
2-(methylamino)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 99930841
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
N-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 119067566
2-(2-methylbenzimidazol-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 119072189
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide (CID 126429000) is 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide is Cc1ccc2cc(C(=O)N[C@@H]3CCCN(c4cnccn4)C3)n(C)c2c1.
What is the InChIKey of 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide?
The InChIKey is KBUXTRXWXMKECN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-5-6-15-11-18(24(2)17(15)10-14)20(26)23-16-4-3-9-25(13-16)19-12-21-7-8-22-19/h5-8,10-12,16H,3-4,9,13H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide?
1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]indole-2-carboxamide is sourced from PubChem (CID 126429000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).