6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C19H19BrN4O — CID 31849870

IUPAC6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C19H19BrN4O/c1-13-17(19(25)23(2)11-14-10-21-24(3)12-14)7-8-18(22-13)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3
InChIKeyIQXZASFWODFMDQ-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.83
Rot. Bonds4

About 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide

6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 31849870) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID31849870
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C19H19BrN4O/c1-13-17(19(25)23(2)11-14-10-21-24(3)12-14)7-8-18(22-13)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3
InChIKeyIQXZASFWODFMDQ-UHFFFAOYSA-N
XLogP3.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 55912571
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
6-(3-bromophenyl)-N,2-dimethyl-N-phenylpyridine-3-carboxamide
CID 39428114
N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51336601
1-(3-bromophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 31853188
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31849649
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
3-[5-(dimethylamino)-1-methyl-1,2,4-triazol-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 118785992
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
CID 43035328
6-(3-bromophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-2-methylpyridine-3-carboxamide
CID 43066460
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 31849870) is 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is IQXZASFWODFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-13-17(19(25)23(2)11-14-10-21-24(3)12-14)7-8-18(22-13)15-5-4-6-16(20)9-15/h4-10,12H,11H2,1-3H3.
What are the key properties of 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 399.29 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 31849870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).