3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide

C24H26N6O3 — CID 77240993

IUPAC3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1C1CC(N)C(O)C(C2CC2)O1
InChIInChI=1S/C24H26N6O3/c25-16-10-19(33-22(21(16)31)14-6-7-14)15-8-9-27-11-18(15)30-24(32)20-23(26)28-12-17(29-20)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,16,19,21-22,31H,6-7,10,25H2,(H2,26,28)(H,30,32)
InChIKeyLFQIOLPJEIAFCW-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide

3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide (PubChem CID 77240993) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide
PubChem CID77240993
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1C1CC(N)C(O)C(C2CC2)O1
InChIInChI=1S/C24H26N6O3/c25-16-10-19(33-22(21(16)31)14-6-7-14)15-8-9-27-11-18(15)30-24(32)20-23(26)28-12-17(29-20)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,16,19,21-22,31H,6-7,10,25H2,(H2,26,28)(H,30,32)
InChIKeyLFQIOLPJEIAFCW-UHFFFAOYSA-N
XLogP2.30
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide with MolForge

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Related Compounds

2-[4-[(2R,4S,5S,6R)-4-amino-6-tert-butyl-5-hydroxyoxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 160847726
2-[4-[(2S,4S,5R)-4-amino-6-cyclopropyl-5-hydroxy-5-methyloxan-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158645013
3-amino-6-[4-(2-aminoethyl)phenyl]-N-(4-phenyl-3-pyridinyl)pyrazine-2-carboxamide
CID 167705710
2-[4-[(2R,4R,4aS,7aR)-4-amino-4a-hydroxy-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyran-2-yl]-3-pyridinyl]-1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 158127254
3-[1-[[4-(4-aminopiperidin-1-yl)-3-pyridinyl]amino]ethenyl]-5-phenylpyrazin-2-amine
CID 139333387
5-amino-N-[4-[(2R,4R,5S,6S)-6-(chloromethyl)-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 67208213
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 67208312
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide (CID 77240993) is 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide is Nc1ncc(-c2ccccc2)nc1C(=O)Nc1cnccc1C1CC(N)C(O)C(C2CC2)O1.
What is the InChIKey of 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide?
The InChIKey is LFQIOLPJEIAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-16-10-19(33-22(21(16)31)14-6-7-14)15-8-9-27-11-18(15)30-24(32)20-23(26)28-12-17(29-20)13-4-2-1-3-5-13/h1-5,8-9,11-12,14,16,19,21-22,31H,6-7,10,25H2,(H2,26,28)(H,30,32).
What are the key properties of 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide?
3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-amino-6-cyclopropyl-5-hydroxyoxan-2-yl)-3-pyridinyl]-6-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 77240993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).