3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide

C20H21FN8O — CID 118873197

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C20H21FN8O/c21-13-3-1-7-24-16(13)14-11-26-18(23)17(27-14)20(30)28-19-15(4-2-8-25-19)29-9-5-12(22)6-10-29/h1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,26)(H,25,28,30)
InChIKeyCFGWNLDQFLAEHP-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873197) has the molecular formula C20H21FN8O and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873197
Molecular FormulaC20H21FN8O
Molecular Weight408.44 g/mol
Exact Mass408.18
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncccc2F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C20H21FN8O/c21-13-3-1-7-24-16(13)14-11-26-18(23)17(27-14)20(30)28-19-15(4-2-8-25-19)29-9-5-12(22)6-10-29/h1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,26)(H,25,28,30)
InChIKeyCFGWNLDQFLAEHP-UHFFFAOYSA-N
XLogP1.83
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide with MolForge

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Related Compounds

Darovasertib
CID 118873253
3-amino-6-methyl-N-pyridin-2-ylpyrazine-2-carboxamide
CID 11206949
6-cyclopropyl-N-[2-(piperidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548252
6-cyclopropyl-N-[2-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 58548404
3-Amino-N-{4-[(3s)-3-Aminopiperidin-1-Yl]pyridin-3-Yl}pyrazine-2-Carboxamide
CID 68187421
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-aminopyrimidin-4-yl)pyridine-2-carboxamide
CID 68184734
3-Amino-N-[4-(4-amino-1-piperidinyl)-3-pyridinyl]-6-phenyl-2-pyrazinecarboxamide
CID 68187629
5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]pyridine-2-carboxamide
CID 71547586
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873224
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(azetidin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873326
6-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415249

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide (CID 118873197) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is Nc1ncc(-c2ncccc2F)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is CFGWNLDQFLAEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8O/c21-13-3-1-7-24-16(13)14-11-26-18(23)17(27-14)20(30)28-19-15(4-2-8-25-19)29-9-5-12(22)6-10-29/h1-4,7-8,11-12H,5-6,9-10,22H2,(H2,23,26)(H,25,28,30).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).