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

C22H24N6O2 — CID 72725607

IUPAC3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
SMILESNc1ccc(Oc2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
InChIKeyITEIREYZTCHMHP-HNNXBMFYSA-N
MW404.47 g/mol
LogP3.03
Rot. Bonds5

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

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide (PubChem CID 72725607) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
PubChem CID72725607
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
SMILESNc1ccc(Oc2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1
InChIInChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1
InChIKeyITEIREYZTCHMHP-HNNXBMFYSA-N
XLogP3.03
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide (CID 72725607) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide is Nc1ccc(Oc2ccccc2)nc1C(=O)Nc1cnccc1N1CCC[C@H](N)C1.
What is the InChIKey of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide?
The InChIKey is ITEIREYZTCHMHP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N6O2/c23-15-5-4-12-28(14-15)19-10-11-25-13-18(19)26-22(29)21-17(24)8-9-20(27-21)30-16-6-2-1-3-7-16/h1-3,6-11,13,15H,4-5,12,14,23-24H2,(H,26,29)/t15-/m0/s1.
What are the key properties of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide?
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 72725607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).