5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide

C14H16BrN5O — CID 122322208

IUPAC5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C14H16BrN5O/c1-9-4-13(20(2)3)19-12(18-9)8-17-14(21)10-5-11(15)7-16-6-10/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyFYJSIRZMGXKQTN-UHFFFAOYSA-N
MW350.22 g/mol
LogP1.94
Rot. Bonds4

About 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide

5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide (PubChem CID 122322208) has the molecular formula C14H16BrN5O and a molecular weight of 350.22 g/mol. Its IUPAC name is 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
PubChem CID122322208
Molecular FormulaC14H16BrN5O
Molecular Weight350.22 g/mol
Exact Mass349.05
IUPAC Name5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide
SMILESCc1cc(N(C)C)nc(CNC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C14H16BrN5O/c1-9-4-13(20(2)3)19-12(18-9)8-17-14(21)10-5-11(15)7-16-6-10/h4-7H,8H2,1-3H3,(H,17,21)
InChIKeyFYJSIRZMGXKQTN-UHFFFAOYSA-N
XLogP1.94
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-nitrobenzamide
CID 122322439
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 122322257
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47044611
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxybenzamide
CID 91966955
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-methoxypyridine-3-carboxamide
CID 122322313
5-bromo-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
CID 61381313
ethyl 2-[(5-bromopyridine-3-carbonyl)amino]acetate
CID 3136484
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-phenylbutanamide
CID 91966981
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122322260
5-bromo-N-(2-methylprop-2-enyl)pyridine-3-carboxamide
CID 114617380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide (CID 122322208) is 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide is Cc1cc(N(C)C)nc(CNC(=O)c2cncc(Br)c2)n1.
What is the InChIKey of 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide?
The InChIKey is FYJSIRZMGXKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN5O/c1-9-4-13(20(2)3)19-12(18-9)8-17-14(21)10-5-11(15)7-16-6-10/h4-7H,8H2,1-3H3,(H,17,21).
What are the key properties of 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide?
5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide has a molecular weight of 350.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122322208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).