N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide

C20H21ClN6O2 — CID 135205758

IUPACN-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(NC1(Nc2ccc(Cl)cc2)C=CN=CC1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)23-20(7-9-22-10-8-20)24-19(28)17-5-6-18(26-25-17)27-11-13-29-14-12-27/h1-7,9-10,23H,8,11-14H2,(H,24,28)
InChIKeyQYDWZUFDYGLNSM-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.49
Rot. Bonds5

About N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide

N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide (PubChem CID 135205758) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide
PubChem CID135205758
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC NameN-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide
SMILESO=C(NC1(Nc2ccc(Cl)cc2)C=CN=CC1)c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)23-20(7-9-22-10-8-20)24-19(28)17-5-6-18(26-25-17)27-11-13-29-14-12-27/h1-7,9-10,23H,8,11-14H2,(H,24,28)
InChIKeyQYDWZUFDYGLNSM-UHFFFAOYSA-N
XLogP2.49
TPSA91.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
N-(4-carbamoylphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028121
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
N-[(2,4-dichlorophenyl)methyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028270
2-[3-(4-chloroanilino)-4-pyridinyl]-1-(6-morpholin-4-ylpyridazin-3-yl)ethanone
CID 147586968
N-[4-(diethylamino)phenyl]-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114572
N-(3,4-dimethoxyphenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114560
6-morpholin-4-yl-N-propan-2-ylpyridazine-3-carboxamide
CID 109109608
N-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028153
N-(6-chloro-1,3-benzothiazol-2-yl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 121028174
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide (CID 135205758) is N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide is O=C(NC1(Nc2ccc(Cl)cc2)C=CN=CC1)c1ccc(N2CCOCC2)nn1.
What is the InChIKey of N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide?
The InChIKey is QYDWZUFDYGLNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c21-15-1-3-16(4-2-15)23-20(7-9-22-10-8-20)24-19(28)17-5-6-18(26-25-17)27-11-13-29-14-12-27/h1-7,9-10,23H,8,11-14H2,(H,24,28).
What are the key properties of N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide?
N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloroanilino)-3H-pyridin-4-yl]-6-morpholin-4-ylpyridazine-3-carboxamide is sourced from PubChem (CID 135205758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).