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

C24H29N9O2 — CID 118873184

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C24H29N9O2/c25-16-6-9-32(10-7-16)19-4-2-8-27-23(19)31-24(34)21-22(26)28-15-18(30-21)17-3-1-5-20(29-17)33-11-13-35-14-12-33/h1-5,8,15-16H,6-7,9-14,25H2,(H2,26,28)(H,27,31,34)
InChIKeyWFUUKKJTZMFANX-UHFFFAOYSA-N
MW475.56 g/mol
LogP1.53
Rot. Bonds5

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

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873184) has the molecular formula C24H29N9O2 and a molecular weight of 475.56 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873184
Molecular FormulaC24H29N9O2
Molecular Weight475.56 g/mol
Exact Mass475.24
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccc(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C24H29N9O2/c25-16-6-9-32(10-7-16)19-4-2-8-27-23(19)31-24(34)21-22(26)28-15-18(30-21)17-3-1-5-20(29-17)33-11-13-35-14-12-33/h1-5,8,15-16H,6-7,9-14,25H2,(H2,26,28)(H,27,31,34)
InChIKeyWFUUKKJTZMFANX-UHFFFAOYSA-N
XLogP1.53
TPSA148.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.56
LogP ≤ 51.53
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-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide (CID 118873184) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide is Nc1ncc(-c2cccc(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is WFUUKKJTZMFANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9O2/c25-16-6-9-32(10-7-16)19-4-2-8-27-23(19)31-24(34)21-22(26)28-15-18(30-21)17-3-1-5-20(29-17)33-11-13-35-14-12-33/h1-5,8,15-16H,6-7,9-14,25H2,(H2,26,28)(H,27,31,34).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 1.53, 5 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-aminopiperidin-1-yl)-2-pyridinyl]-6-(6-morpholin-4-yl-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).