3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide

C23H27N9O — CID 118873261

IUPAC3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C23H27N9O/c24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19/h3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33)
InChIKeyPLIDEIVUYFAECO-UHFFFAOYSA-N
MW445.53 g/mol
LogP1.97
Rot. Bonds4

About 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide

3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide (PubChem CID 118873261) has the molecular formula C23H27N9O and a molecular weight of 445.53 g/mol. Its IUPAC name is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide
PubChem CID118873261
Molecular FormulaC23H27N9O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide
SMILESNc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1
InChIInChI=1S/C23H27N9O/c24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19/h3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33)
InChIKeyPLIDEIVUYFAECO-UHFFFAOYSA-N
XLogP1.97
TPSA148.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide (CID 118873261) is 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide is Nc1ncc(-c2ncnc3c2CCCC3)nc1C(=O)Nc1ncccc1N1CCC(N)CC1.
What is the InChIKey of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide?
The InChIKey is PLIDEIVUYFAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N9O/c24-14-7-10-32(11-8-14)18-6-3-9-26-22(18)31-23(33)20-21(25)27-12-17(30-20)19-15-4-1-2-5-16(15)28-13-29-19/h3,6,9,12-14H,1-2,4-5,7-8,10-11,24H2,(H2,25,27)(H,26,31,33).
What are the key properties of 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide?
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-(5,6,7,8-tetrahydroquinazolin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118873261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).