N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide

C22H22ClN5O2 — CID 90418118

IUPACN-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1Nc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C22H22ClN5O2/c23-17-2-5-18(6-3-17)26-21-14-24-8-7-20(21)27-22(29)16-1-4-19(25-13-16)15-28-9-11-30-12-10-28/h1-8,13-14,26H,9-12,15H2,(H,24,27,29)
InChIKeyXFUSIDGNDIKWIG-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.96
Rot. Bonds6

About N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide

N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 90418118) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID90418118
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccncc1Nc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C22H22ClN5O2/c23-17-2-5-18(6-3-17)26-21-14-24-8-7-20(21)27-22(29)16-1-4-19(25-13-16)15-28-9-11-30-12-10-28/h1-8,13-14,26H,9-12,15H2,(H,24,27,29)
InChIKeyXFUSIDGNDIKWIG-UHFFFAOYSA-N
XLogP3.96
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloroanilino)-4-pyridinyl]-2-(3-oxopiperazin-1-yl)pyrimidine-5-carboxamide
CID 90417805
[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 90418052
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide
CID 90418050
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 90433890
N-[4-(morpholin-4-ylmethyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86917906
2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
CID 147586968
N-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 27825531
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 143922333
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
CID 11266319
methyl 6-(chloromethyl)pyridine-3-carboxylate;6-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 162171346
N-(2,4-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154085

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide (CID 90418118) is N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide is O=C(Nc1ccncc1Nc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)nc1.
What is the InChIKey of N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is XFUSIDGNDIKWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-17-2-5-18(6-3-17)26-21-14-24-8-7-20(21)27-22(29)16-1-4-19(25-13-16)15-28-9-11-30-12-10-28/h1-8,13-14,26H,9-12,15H2,(H,24,27,29).
What are the key properties of N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide?
N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90418118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).