6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide

C22H23N5O — CID 67501790

IUPAC6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C3CNC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C22H23N5O/c23-22(28)19-14-26-21(10-20(19)25-11-15-4-2-1-3-5-15)27-18-8-6-16(7-9-18)17-12-24-13-17/h1-10,14,17,24H,11-13H2,(H2,23,28)(H2,25,26,27)
InChIKeyPDKIHOKKWUNNNE-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.22
Rot. Bonds7

About 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide

6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide (PubChem CID 67501790) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
PubChem CID67501790
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(C3CNC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C22H23N5O/c23-22(28)19-14-26-21(10-20(19)25-11-15-4-2-1-3-5-15)27-18-8-6-16(7-9-18)17-12-24-13-17/h1-10,14,17,24H,11-13H2,(H2,23,28)(H2,25,26,27)
InChIKeyPDKIHOKKWUNNNE-UHFFFAOYSA-N
XLogP3.22
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501741
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
CID 58450697
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872

Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide (CID 67501790) is 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(C3CNC3)cc2)cc1NCc1ccccc1.
What is the InChIKey of 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide?
The InChIKey is PDKIHOKKWUNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c23-22(28)19-14-26-21(10-20(19)25-11-15-4-2-1-3-5-15)27-18-8-6-16(7-9-18)17-12-24-13-17/h1-10,14,17,24H,11-13H2,(H2,23,28)(H2,25,26,27).
What are the key properties of 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide?
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67501790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).