6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide

C16H18BrN5O — CID 133339328

IUPAC6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCN(c3ccccc3Br)C2)nn1
InChIInChI=1S/C16H18BrN5O/c1-18-16(23)13-6-7-15(21-20-13)19-11-8-9-22(10-11)14-5-3-2-4-12(14)17/h2-7,11H,8-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyCZYXLVQYIFFVCA-UHFFFAOYSA-N
MW376.26 g/mol
LogP2.29
Rot. Bonds4

About 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide

6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133339328) has the molecular formula C16H18BrN5O and a molecular weight of 376.26 g/mol. Its IUPAC name is 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID133339328
Molecular FormulaC16H18BrN5O
Molecular Weight376.26 g/mol
Exact Mass375.07
IUPAC Name6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCN(c3ccccc3Br)C2)nn1
InChIInChI=1S/C16H18BrN5O/c1-18-16(23)13-6-7-15(21-20-13)19-11-8-9-22(10-11)14-5-3-2-4-12(14)17/h2-7,11H,8-10H2,1H3,(H,18,23)(H,19,21)
InChIKeyCZYXLVQYIFFVCA-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1-ethylpiperidin-4-yl)amino]-N-methylpyridazine-3-carboxamide
CID 79210349
6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339327
methyl 1-(2-bromophenyl)pyrrolidine-3-carboxylate
CID 117028374
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004212
N-[(3S)-1-(2-bromophenyl)pyrrolidin-3-yl]pyridazine-4-carboxamide
CID 124573736
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
N-methyl-6-(oxan-3-ylamino)pyridazine-3-carboxamide
CID 79208062
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
4-acetyl-2-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]benzonitrile
CID 133458012
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide (CID 133339328) is 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CCN(c3ccccc3Br)C2)nn1.
What is the InChIKey of 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is CZYXLVQYIFFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN5O/c1-18-16(23)13-6-7-15(21-20-13)19-11-8-9-22(10-11)14-5-3-2-4-12(14)17/h2-7,11H,8-10H2,1H3,(H,18,23)(H,19,21).
What are the key properties of 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide?
6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 376.26 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133339328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).