4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide

C24H27N5O3 — CID 67501888

IUPAC4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)CCO
InChIInChI=1S/C24H27N5O3/c1-16-12-18(8-9-19(16)24(32)29(2)10-11-30)28-22-13-21(20(15-27-22)23(25)31)26-14-17-6-4-3-5-7-17/h3-9,12-13,15,30H,10-11,14H2,1-2H3,(H2,25,31)(H2,26,27,28)
InChIKeyGXHBWKYSTSWVOJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.91
Rot. Bonds9

About 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide (PubChem CID 67501888) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
PubChem CID67501888
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)CCO
InChIInChI=1S/C24H27N5O3/c1-16-12-18(8-9-19(16)24(32)29(2)10-11-30)28-22-13-21(20(15-27-22)23(25)31)26-14-17-6-4-3-5-7-17/h3-9,12-13,15,30H,10-11,14H2,1-2H3,(H2,25,31)(H2,26,27,28)
InChIKeyGXHBWKYSTSWVOJ-UHFFFAOYSA-N
XLogP2.91
TPSA120.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(azetidin-3-yl)anilino]-4-(benzylamino)pyridine-3-carboxamide
CID 67501790
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-(benzylamino)-6-[4-[1-(2-methoxyacetyl)azetidin-3-yl]anilino]pyridine-3-carboxamide
CID 67501741
4-(benzylamino)-6-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 46219366
4-(benzylamino)-6-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 58450630
4-(benzylamino)-6-[4-(4-methyl-1,4-diazepan-1-yl)anilino]pyridine-3-carboxamide
CID 67422223
6-[4-(dimethylcarbamoyl)-3-methylanilino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320644
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
6-(3-amino-4-fluoroanilino)-4-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 89012362
4-(benzylamino)-6-[4-(3-morpholin-4-ylpropyl)anilino]pyridine-3-carboxamide
CID 58450697

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide (CID 67501888) is 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide is Cc1cc(Nc2cc(NCc3ccccc3)c(C(N)=O)cn2)ccc1C(=O)N(C)CCO.
What is the InChIKey of 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide?
The InChIKey is GXHBWKYSTSWVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-12-18(8-9-19(16)24(32)29(2)10-11-30)28-22-13-21(20(15-27-22)23(25)31)26-14-17-6-4-3-5-7-17/h3-9,12-13,15,30H,10-11,14H2,1-2H3,(H2,25,31)(H2,26,27,28).
What are the key properties of 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.91, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-[2-hydroxyethyl(methyl)carbamoyl]-3-methylanilino]pyridine-3-carboxamide is sourced from PubChem (CID 67501888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).