N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide

C18H21ClN4O — CID 70296559

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cccnn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-14-4-1-3-13(11-14)18(12-20)8-6-15(7-9-18)22-17(24)16-5-2-10-21-23-16/h1-5,10-11,15H,6-9,12,20H2,(H,22,24)
InChIKeySLCVLFSOYBBTKL-UHFFFAOYSA-N
MW344.85 g/mol
LogP2.70
Rot. Bonds4

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide (PubChem CID 70296559) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
PubChem CID70296559
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
SMILESNCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cccnn2)CC1
InChIInChI=1S/C18H21ClN4O/c19-14-4-1-3-13(11-14)18(12-20)8-6-15(7-9-18)22-17(24)16-5-2-10-21-23-16/h1-5,10-11,15H,6-9,12,20H2,(H,22,24)
InChIKeySLCVLFSOYBBTKL-UHFFFAOYSA-N
XLogP2.70
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
CID 71184788
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 70297802
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
CID 70295338
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 70295611
bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridazine-3-carboxamide);bis(N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenoxyethyl)pyridazine-3-carboxamide)
CID 157198100
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 141460592
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 71184437
(Z)-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-imino-4-piperidin-1-ylbut-2-enamide
CID 143705982
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-cyclopropyl-3-oxo-6-phenylpyridazine-4-carboxamide;formic acid
CID 71184753
N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
CID 136555200

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide (CID 70296559) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide is NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2cccnn2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is SLCVLFSOYBBTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-14-4-1-3-13(11-14)18(12-20)8-6-15(7-9-18)22-17(24)16-5-2-10-21-23-16/h1-5,10-11,15H,6-9,12,20H2,(H,22,24).
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 70296559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).