1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid

C14H20N4O3 — CID 115443595

IUPAC1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESNC(=O)c1ccc(NCC2(C(=O)O)CCCCCC2)nn1
InChIInChI=1S/C14H20N4O3/c15-12(19)10-5-6-11(18-17-10)16-9-14(13(20)21)7-3-1-2-4-8-14/h5-6H,1-4,7-9H2,(H2,15,19)(H,16,18)(H,20,21)
InChIKeyQNEQPOVWWBWSPL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.41
Rot. Bonds5

About 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid

1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid (PubChem CID 115443595) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
PubChem CID115443595
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
SMILESNC(=O)c1ccc(NCC2(C(=O)O)CCCCCC2)nn1
InChIInChI=1S/C14H20N4O3/c15-12(19)10-5-6-11(18-17-10)16-9-14(13(20)21)7-3-1-2-4-8-14/h5-6H,1-4,7-9H2,(H2,15,19)(H,16,18)(H,20,21)
InChIKeyQNEQPOVWWBWSPL-UHFFFAOYSA-N
XLogP1.41
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
1-[[(6-methoxycarbonylpyridazin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312202
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436128
1-[[(3-carbamoyl-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309120
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
1-[(2-carbamoyl-5-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433325
1-[(4-carbamoyl-3-methylanilino)methyl]cyclopentane-1-carboxylic acid
CID 115433360
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
CID 133357901

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid (CID 115443595) is 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid is NC(=O)c1ccc(NCC2(C(=O)O)CCCCCC2)nn1.
What is the InChIKey of 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid?
The InChIKey is QNEQPOVWWBWSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-12(19)10-5-6-11(18-17-10)16-9-14(13(20)21)7-3-1-2-4-8-14/h5-6H,1-4,7-9H2,(H2,15,19)(H,16,18)(H,20,21).
What are the key properties of 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid?
1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115443595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).