5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

C19H22N6O — CID 102532139

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/m0/s1
InChIKeyYACNMLLIRLXUQZ-GXTWGEPZSA-N
MW350.43 g/mol
LogP2.41
Rot. Bonds4

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (PubChem CID 102532139) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
PubChem CID102532139
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1-c1cc2ccccc2[nH]1
InChIInChI=1S/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/m0/s1
InChIKeyYACNMLLIRLXUQZ-GXTWGEPZSA-N
XLogP2.41
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-aminocyclohexyl)amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 123772470
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 123176707
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(5-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368155
5-[(3-aminooxan-4-yl)amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 123886050
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-(3-chloro-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118372953
benzyl N-[(2R)-2-[[5-carbamoyl-6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxypropyl]carbamate
CID 140777745
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[(5-bromo-6-methyl-2-pyridinyl)amino]pyridine-2-carboxamide
CID 90354701
2-[[(1R,2R)-2-aminocyclohexyl]amino]quinoline-3-carboxamide
CID 102738838
5-[(2-aminocyclohexyl)amino]-3-[3-(dimethylcarbamoyl)-4-methoxyanilino]pyrazine-2-carboxamide
CID 123482822
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(pyrimidin-4-ylamino)pyridine-2-carboxamide
CID 90354325
cis-(1R,2S)-2-N-(5-bromo-2-pyridinyl)cyclohexane-1,2-diamine
CID 93453964
2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
CID 58464157

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (CID 102532139) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1-c1cc2ccccc2[nH]1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The InChIKey is YACNMLLIRLXUQZ-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H22N6O/c20-12-6-2-4-8-14(12)24-16-10-22-18(19(21)26)17(25-16)15-9-11-5-1-3-7-13(11)23-15/h1,3,5,7,9-10,12,14,23H,2,4,6,8,20H2,(H2,21,26)(H,24,25)/t12-,14+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 102532139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).