4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide

C26H31N5O2 — CID 58450697

IUPAC4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CCCN3CCOCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C26H31N5O2/c27-26(32)23-19-29-25(17-24(23)28-18-21-5-2-1-3-6-21)30-22-10-8-20(9-11-22)7-4-12-31-13-15-33-16-14-31/h1-3,5-6,8-11,17,19H,4,7,12-16,18H2,(H2,27,32)(H2,28,29,30)
InChIKeyBRFUGDJRNJPHJB-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.80
Rot. Bonds10

About 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide (PubChem CID 58450697) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
PubChem CID58450697
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Nc2ccc(CCCN3CCOCC3)cc2)cc1NCc1ccccc1
InChIInChI=1S/C26H31N5O2/c27-26(32)23-19-29-25(17-24(23)28-18-21-5-2-1-3-6-21)30-22-10-8-20(9-11-22)7-4-12-31-13-15-33-16-14-31/h1-3,5-6,8-11,17,19H,4,7,12-16,18H2,(H2,27,32)(H2,28,29,30)
InChIKeyBRFUGDJRNJPHJB-UHFFFAOYSA-N
XLogP3.80
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
4-[[3-(methylsulfonylmethyl)phenyl]methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450705
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
4-[(3-fluorophenyl)methylamino]-6-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56969795
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
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 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide (CID 58450697) is 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide is NC(=O)c1cnc(Nc2ccc(CCCN3CCOCC3)cc2)cc1NCc1ccccc1.
What is the InChIKey of 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide?
The InChIKey is BRFUGDJRNJPHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c27-26(32)23-19-29-25(17-24(23)28-18-21-5-2-1-3-6-21)30-22-10-8-20(9-11-22)7-4-12-31-13-15-33-16-14-31/h1-3,5-6,8-11,17,19H,4,7,12-16,18H2,(H2,27,32)(H2,28,29,30).
What are the key properties of 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.80, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 58450697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).