2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide

C25H22N8O2 — CID 95385029

IUPAC2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ncccc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C25H22N8O2/c26-21-16(6-3-11-28-21)24(34)33-23-17(7-4-12-29-23)25(35)32-20-9-1-8-19-18(20)14-30-22(31-19)15-5-2-10-27-13-15/h2-7,10-14,20H,1,8-9H2,(H2,26,28)(H,32,35)(H,29,33,34)/t20-/m0/s1
InChIKeyASDBJAKSYFEFJH-FQEVSTJZSA-N
MW466.51 g/mol
LogP2.97
Rot. Bonds5

About 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide

2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 95385029) has the molecular formula C25H22N8O2 and a molecular weight of 466.51 g/mol. Its IUPAC name is 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID95385029
Molecular FormulaC25H22N8O2
Molecular Weight466.51 g/mol
Exact Mass466.19
IUPAC Name2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESNc1ncccc1C(=O)Nc1ncccc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21
InChIInChI=1S/C25H22N8O2/c26-21-16(6-3-11-28-21)24(34)33-23-17(7-4-12-29-23)25(35)32-20-9-1-8-19-18(20)14-30-22(31-19)15-5-2-10-27-13-15/h2-7,10-14,20H,1,8-9H2,(H2,26,28)(H,32,35)(H,29,33,34)/t20-/m0/s1
InChIKeyASDBJAKSYFEFJH-FQEVSTJZSA-N
XLogP2.97
TPSA148.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide (CID 95385029) is 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide is Nc1ncccc1C(=O)Nc1ncccc1C(=O)N[C@H]1CCCc2nc(-c3cccnc3)ncc21.
What is the InChIKey of 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is ASDBJAKSYFEFJH-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H22N8O2/c26-21-16(6-3-11-28-21)24(34)33-23-17(7-4-12-29-23)25(35)32-20-9-1-8-19-18(20)14-30-22(31-19)15-5-2-10-27-13-15/h2-7,10-14,20H,1,8-9H2,(H2,26,28)(H,32,35)(H,29,33,34)/t20-/m0/s1.
What are the key properties of 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide?
2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 466.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]carbamoyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 95385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).