2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

C12H17BrN4O — CID 114138586

IUPAC2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H17BrN4O/c1-17-4-2-3-9(17)7-16-12(18)10-5-8(13)6-15-11(10)14/h5-6,9H,2-4,7H2,1H3,(H2,14,15)(H,16,18)
InChIKeyQCDQVYXKSZTKJC-UHFFFAOYSA-N
MW313.20 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide

2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 114138586) has the molecular formula C12H17BrN4O and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID114138586
Molecular FormulaC12H17BrN4O
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCCC1CNC(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H17BrN4O/c1-17-4-2-3-9(17)7-16-12(18)10-5-8(13)6-15-11(10)14/h5-6,9H,2-4,7H2,1H3,(H2,14,15)(H,16,18)
InChIKeyQCDQVYXKSZTKJC-UHFFFAOYSA-N
XLogP1.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 79071244
4-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbenzamide
CID 114138158
4-hydrazinyl-6-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 106025891
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
4-amino-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 110473663
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-bromo-5-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81110131
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
(2-amino-5-bromo-3-pyridinyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605142
2-amino-5-bromo-N-(1,3-dimethylpiperidin-4-yl)pyridine-3-carboxamide
CID 114505946

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide (CID 114138586) is 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is CN1CCCC1CNC(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is QCDQVYXKSZTKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O/c1-17-4-2-3-9(17)7-16-12(18)10-5-8(13)6-15-11(10)14/h5-6,9H,2-4,7H2,1H3,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide?
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 313.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 114138586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).