4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide

C23H26N6O2 — CID 67423689

IUPAC4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C23H26N6O2/c1-15(2)27-23(31)29-18-10-8-17(9-11-18)28-21-12-20(19(14-26-21)22(24)30)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,24,30)(H2,25,26,28)(H2,27,29,31)
InChIKeyMGBMTLLYZQMMEZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.07
Rot. Bonds8

About 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide (PubChem CID 67423689) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
PubChem CID67423689
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)cc1
InChIInChI=1S/C23H26N6O2/c1-15(2)27-23(31)29-18-10-8-17(9-11-18)28-21-12-20(19(14-26-21)22(24)30)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,24,30)(H2,25,26,28)(H2,27,29,31)
InChIKeyMGBMTLLYZQMMEZ-UHFFFAOYSA-N
XLogP4.07
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
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4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
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4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501741
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-(2-oxo-2-piperidin-4-ylethyl)anilino]pyridine-3-carboxamide
CID 58450567
4-(benzylamino)-6-[4-(4-ethylpiperazin-1-yl)anilino]pyridine-3-carboxamide;carbon dioxide
CID 158000288
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
CID 67501888
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
CID 58450697
4-(benzylamino)-6-[4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepan-1-yl]anilino]pyridine-3-carboxamide
CID 87394872
6-[4-(aminomethyl)anilino]-4-[(3,5-difluorophenyl)methylamino]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide (CID 67423689) is 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide is CC(C)NC(=O)Nc1ccc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)cc1.
What is the InChIKey of 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide?
The InChIKey is MGBMTLLYZQMMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15(2)27-23(31)29-18-10-8-17(9-11-18)28-21-12-20(19(14-26-21)22(24)30)25-13-16-6-4-3-5-7-16/h3-12,14-15H,13H2,1-2H3,(H2,24,30)(H2,25,26,28)(H2,27,29,31).
What are the key properties of 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67423689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).