3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide

C25H27N9O2 — CID 118873276

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC4CC4)c3C#N)cnc2N)CC1
InChIInChI=1S/C25H27N9O2/c1-25(28)7-11-34(12-8-25)18-3-2-9-30-23(18)33-24(35)21-22(27)31-14-17(32-21)20-16(13-26)19(6-10-29-20)36-15-4-5-15/h2-3,6,9-10,14-15H,4-5,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyISVGNINBCCPWJK-UHFFFAOYSA-N
MW485.55 g/mol
LogP2.50
Rot. Bonds6

About 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873276) has the molecular formula C25H27N9O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873276
Molecular FormulaC25H27N9O2
Molecular Weight485.55 g/mol
Exact Mass485.23
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC4CC4)c3C#N)cnc2N)CC1
InChIInChI=1S/C25H27N9O2/c1-25(28)7-11-34(12-8-25)18-3-2-9-30-23(18)33-24(35)21-22(27)31-14-17(32-21)20-16(13-26)19(6-10-29-20)36-15-4-5-15/h2-3,6,9-10,14-15H,4-5,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyISVGNINBCCPWJK-UHFFFAOYSA-N
XLogP2.50
TPSA168.96 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide (CID 118873276) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nccc(OC4CC4)c3C#N)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is ISVGNINBCCPWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2/c1-25(28)7-11-34(12-8-25)18-3-2-9-30-23(18)33-24(35)21-22(27)31-14-17(32-21)20-16(13-26)19(6-10-29-20)36-15-4-5-15/h2-3,6,9-10,14-15H,4-5,7-8,11-12,28H2,1H3,(H2,27,31)(H,30,33,35).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-cyano-4-cyclopropyloxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).