6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide

C16H20ClN7O — CID 133358123

IUPAC6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
SMILESCCc1cc(N2CCC(Nc3nnc(Cl)cc3C(N)=O)CC2)ncn1
InChIInChI=1S/C16H20ClN7O/c1-2-10-7-14(20-9-19-10)24-5-3-11(4-6-24)21-16-12(15(18)25)8-13(17)22-23-16/h7-9,11H,2-6H2,1H3,(H2,18,25)(H,21,23)
InChIKeyNJSVMAJWWKBYHE-UHFFFAOYSA-N
MW361.84 g/mol
LogP1.66
Rot. Bonds5

About 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide

6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide (PubChem CID 133358123) has the molecular formula C16H20ClN7O and a molecular weight of 361.84 g/mol. Its IUPAC name is 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
PubChem CID133358123
Molecular FormulaC16H20ClN7O
Molecular Weight361.84 g/mol
Exact Mass361.14
IUPAC Name6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
SMILESCCc1cc(N2CCC(Nc3nnc(Cl)cc3C(N)=O)CC2)ncn1
InChIInChI=1S/C16H20ClN7O/c1-2-10-7-14(20-9-19-10)24-5-3-11(4-6-24)21-16-12(15(18)25)8-13(17)22-23-16/h7-9,11H,2-6H2,1H3,(H2,18,25)(H,21,23)
InChIKeyNJSVMAJWWKBYHE-UHFFFAOYSA-N
XLogP1.66
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.84
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide with MolForge

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Related Compounds

7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 71980270
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
ethyl 4-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133358062
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 127805061
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
6-chloro-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]pyridazine-4-carboxamide
CID 133341225
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide (CID 133358123) is 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide is CCc1cc(N2CCC(Nc3nnc(Cl)cc3C(N)=O)CC2)ncn1.
What is the InChIKey of 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide?
The InChIKey is NJSVMAJWWKBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O/c1-2-10-7-14(20-9-19-10)24-5-3-11(4-6-24)21-16-12(15(18)25)8-13(17)22-23-16/h7-9,11H,2-6H2,1H3,(H2,18,25)(H,21,23).
What are the key properties of 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide?
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide has a molecular weight of 361.84 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133358123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).