4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

C23H25N5O2 — CID 46218740

IUPAC4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C23H25N5O2/c24-23(29)20-16-26-22(14-21(20)25-15-17-4-2-1-3-5-17)27-18-6-8-19(9-7-18)28-10-12-30-13-11-28/h1-9,14,16H,10-13,15H2,(H2,24,29)(H2,25,26,27)
InChIKeyUKIMCASXXKWCPW-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.37
Rot. Bonds7

About 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide

4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 46218740) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID46218740
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C23H25N5O2/c24-23(29)20-16-26-22(14-21(20)25-15-17-4-2-1-3-5-17)27-18-6-8-19(9-7-18)28-10-12-30-13-11-28/h1-9,14,16H,10-13,15H2,(H2,24,29)(H2,25,26,27)
InChIKeyUKIMCASXXKWCPW-UHFFFAOYSA-N
XLogP3.37
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
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-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705
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-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-[(5-fluoro-2-methoxyphenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218981
6-[4-(4-acetylpiperazin-1-yl)anilino]-4-(benzylamino)-N-methylpyridine-3-carboxamide
CID 57335247

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 46218740) is 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)cc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is UKIMCASXXKWCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-23(29)20-16-26-22(14-21(20)25-15-17-4-2-1-3-5-17)27-18-6-8-19(9-7-18)28-10-12-30-13-11-28/h1-9,14,16H,10-13,15H2,(H2,24,29)(H2,25,26,27).
What are the key properties of 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide?
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 46218740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).