N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide

C18H19N5O2 — CID 91841370

IUPACN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N5O2/c24-16-11-23(17-10-19-6-7-21-17)8-4-14(16)22-18(25)13-2-1-12-3-5-20-15(12)9-13/h1-3,5-7,9-10,14,16,20,24H,4,8,11H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyYXDINRVFVBEMAY-GDBMZVCRSA-N
MW337.38 g/mol
LogP1.33
Rot. Bonds3

About N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide

N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide (PubChem CID 91841370) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide
PubChem CID91841370
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C18H19N5O2/c24-16-11-23(17-10-19-6-7-21-17)8-4-14(16)22-18(25)13-2-1-12-3-5-20-15(12)9-13/h1-3,5-7,9-10,14,16,20,24H,4,8,11H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyYXDINRVFVBEMAY-GDBMZVCRSA-N
XLogP1.33
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
CID 91840322
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 99741208
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 91838196
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 67307371
N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 58845376
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide (CID 91841370) is N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide is O=C(N[C@@H]1CCN(c2cnccn2)C[C@H]1O)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide?
The InChIKey is YXDINRVFVBEMAY-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-11-23(17-10-19-6-7-21-17)8-4-14(16)22-18(25)13-2-1-12-3-5-20-15(12)9-13/h1-3,5-7,9-10,14,16,20,24H,4,8,11H2,(H,22,25)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide?
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 91841370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).