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

C21H23ClN8O — CID 118873186

IUPAC3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3Cl)cnc2N)CC1
InChIInChI=1S/C21H23ClN8O/c1-21(24)6-10-30(11-7-21)15-5-3-9-26-19(15)29-20(31)17-18(23)27-12-14(28-17)16-13(22)4-2-8-25-16/h2-5,8-9,12H,6-7,10-11,24H2,1H3,(H2,23,27)(H,26,29,31)
InChIKeyMFDKBLCTDGSTAK-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.74
Rot. Bonds4

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

3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide (PubChem CID 118873186) has the molecular formula C21H23ClN8O and a molecular weight of 438.92 g/mol. Its IUPAC name is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide
PubChem CID118873186
Molecular FormulaC21H23ClN8O
Molecular Weight438.92 g/mol
Exact Mass438.17
IUPAC Name3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3Cl)cnc2N)CC1
InChIInChI=1S/C21H23ClN8O/c1-21(24)6-10-30(11-7-21)15-5-3-9-26-19(15)29-20(31)17-18(23)27-12-14(28-17)16-13(22)4-2-8-25-16/h2-5,8-9,12H,6-7,10-11,24H2,1H3,(H2,23,27)(H,26,29,31)
InChIKeyMFDKBLCTDGSTAK-UHFFFAOYSA-N
XLogP2.74
TPSA135.94 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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-chloro-2-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide (CID 118873186) is 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-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-chloro-2-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3ncccc3Cl)cnc2N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is MFDKBLCTDGSTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O/c1-21(24)6-10-30(11-7-21)15-5-3-9-26-19(15)29-20(31)17-18(23)27-12-14(28-17)16-13(22)4-2-8-25-16/h2-5,8-9,12H,6-7,10-11,24H2,1H3,(H2,23,27)(H,26,29,31).
What are the key properties of 3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 2.74, 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-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(3-chloro-2-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).