N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide

C20H21ClN6O2 — CID 90418050

IUPACN-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide
SMILESO=C(Nc1ccncc1Nc1ccc(Cl)cc1)N1C=CC(N2CCOCC2)=CN1
InChIInChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)24-19-14-22-7-5-18(19)25-20(28)27-8-6-17(13-23-27)26-9-11-29-12-10-26/h1-8,13-14,23-24H,9-12H2,(H,22,25,28)
InChIKeyHHCGHFGGYMVVLW-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.52
Rot. Bonds4

About N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide

N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide (PubChem CID 90418050) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide
PubChem CID90418050
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide
SMILESO=C(Nc1ccncc1Nc1ccc(Cl)cc1)N1C=CC(N2CCOCC2)=CN1
InChIInChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)24-19-14-22-7-5-18(19)25-20(28)27-8-6-17(13-23-27)26-9-11-29-12-10-26/h1-8,13-14,23-24H,9-12H2,(H,22,25,28)
InChIKeyHHCGHFGGYMVVLW-UHFFFAOYSA-N
XLogP3.52
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 90418118
2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
CID 147586968
N-[3-(4-chloroanilino)-4-pyridinyl]-2-(3-oxopiperazin-1-yl)pyrimidine-5-carboxamide
CID 90417805
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 90433890
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
CID 90418052
2-[[3-(4-fluoroanilino)-4-pyridinyl]amino]-2-oxoacetic acid
CID 118961550
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046
N-[3-[(2-chloro-5-morpholin-4-ylpyrimidin-4-yl)amino]-4-fluorophenyl]prop-2-enamide
CID 163280640
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide?
The IUPAC name of N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide (CID 90418050) is N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide?
The canonical SMILES for N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide is O=C(Nc1ccncc1Nc1ccc(Cl)cc1)N1C=CC(N2CCOCC2)=CN1.
What is the InChIKey of N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide?
The InChIKey is HHCGHFGGYMVVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)24-19-14-22-7-5-18(19)25-20(28)27-8-6-17(13-23-27)26-9-11-29-12-10-26/h1-8,13-14,23-24H,9-12H2,(H,22,25,28).
What are the key properties of N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide?
N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroanilino)-4-pyridinyl]-5-morpholin-4-yl-1H-pyridazine-2-carboxamide is sourced from PubChem (CID 90418050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).