6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide

C14H22N4O2 — CID 99848252

IUPAC6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@@H]2CCCCC[C@H]2OC)nn1
InChIInChI=1S/C14H22N4O2/c1-15-14(19)11-8-9-13(18-17-11)16-10-6-4-3-5-7-12(10)20-2/h8-10,12H,3-7H2,1-2H3,(H,15,19)(H,16,18)/t10-,12-/m1/s1
InChIKeyNOOHAWTVYUPIGU-ZYHUDNBSSA-N
MW278.36 g/mol
LogP1.60
Rot. Bonds4

About 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide

6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 99848252) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID99848252
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N[C@@H]2CCCCC[C@H]2OC)nn1
InChIInChI=1S/C14H22N4O2/c1-15-14(19)11-8-9-13(18-17-11)16-10-6-4-3-5-7-12(10)20-2/h8-10,12H,3-7H2,1-2H3,(H,15,19)(H,16,18)/t10-,12-/m1/s1
InChIKeyNOOHAWTVYUPIGU-ZYHUDNBSSA-N
XLogP1.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
6-[(2-methylcycloheptyl)amino]pyridazine-3-carboxamide
CID 79099687
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
CID 133422244
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-[(2-methoxycyclopentyl)amino]pyridine-2-carboxylic acid
CID 62238707
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
6-[(1-cyclohexyl-3-hydroxypropyl)amino]-N-methylpyridazine-3-carboxamide
CID 133339706
6-[[2-(3,4-dichlorophenyl)cyclopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133329234

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide (CID 99848252) is 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N[C@@H]2CCCCC[C@H]2OC)nn1.
What is the InChIKey of 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is NOOHAWTVYUPIGU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-14(19)11-8-9-13(18-17-11)16-10-6-4-3-5-7-12(10)20-2/h8-10,12H,3-7H2,1-2H3,(H,15,19)(H,16,18)/t10-,12-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 99848252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).