3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide

C24H24N10O2 — CID 118873289

IUPAC3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)(CC#N)CC3)n2)c1C#N
InChIInChI=1S/C24H24N10O2/c1-36-18-4-10-29-19(15(18)13-26)16-14-31-21(27)20(32-16)23(35)33-22-17(3-2-9-30-22)34-11-6-24(28,5-8-25)7-12-34/h2-4,9-10,14H,5-7,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyODKAPLPAZCAUMR-UHFFFAOYSA-N
MW484.52 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide

3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873289) has the molecular formula C24H24N10O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873289
Molecular FormulaC24H24N10O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide
SMILESCOc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)(CC#N)CC3)n2)c1C#N
InChIInChI=1S/C24H24N10O2/c1-36-18-4-10-29-19(15(18)13-26)16-14-31-21(27)20(32-16)23(35)33-22-17(3-2-9-30-22)34-11-6-24(28,5-8-25)7-12-34/h2-4,9-10,14H,5-7,11-12,28H2,1H3,(H2,27,31)(H,30,33,35)
InChIKeyODKAPLPAZCAUMR-UHFFFAOYSA-N
XLogP1.86
TPSA192.75 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide (CID 118873289) is 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide is COc1ccnc(-c2cnc(N)c(C(=O)Nc3ncccc3N3CCC(N)(CC#N)CC3)n2)c1C#N.
What is the InChIKey of 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is ODKAPLPAZCAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O2/c1-36-18-4-10-29-19(15(18)13-26)16-14-31-21(27)20(32-16)23(35)33-22-17(3-2-9-30-22)34-11-6-24(28,5-8-25)7-12-34/h2-4,9-10,14H,5-7,11-12,28H2,1H3,(H2,27,31)(H,30,33,35).
What are the key properties of 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[4-amino-4-(cyanomethyl)piperidin-1-yl]-2-pyridinyl]-6-(3-cyano-4-methoxy-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).