5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

C16H27BrN4 — CID 63274618

IUPAC5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H27BrN4/c1-4-6-18-9-14-8-15(17)10-19-16(14)21(3)12-13-5-7-20(2)11-13/h8,10,13,18H,4-7,9,11-12H2,1-3H3
InChIKeyPWYZFLONSAIGPS-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.73
Rot. Bonds7

About 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine

5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (PubChem CID 63274618) has the molecular formula C16H27BrN4 and a molecular weight of 355.32 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
PubChem CID63274618
Molecular FormulaC16H27BrN4
Molecular Weight355.32 g/mol
Exact Mass354.14
IUPAC Name5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1cc(Br)cnc1N(C)CC1CCN(C)C1
InChIInChI=1S/C16H27BrN4/c1-4-6-18-9-14-8-15(17)10-19-16(14)21(3)12-13-5-7-20(2)11-13/h8,10,13,18H,4-7,9,11-12H2,1-3H3
InChIKeyPWYZFLONSAIGPS-UHFFFAOYSA-N
XLogP2.73
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-methyl-N-(oxan-4-ylmethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 63708114
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
5-bromo-N-(1-cyclopropylethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 55059195
5-bromo-3-fluoro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 104924188
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
5-bromo-N-methyl-N-propan-2-yl-3-(propylaminomethyl)pyridin-2-amine
CID 62285133
5-bromo-N,N-dipropyl-3-(propylaminomethyl)pyridin-2-amine
CID 62285283
5-bromo-N-cyclohexyl-N-ethyl-3-(propylaminomethyl)pyridin-2-amine
CID 63487902
5-bromo-N-methyl-N-(oxolan-3-yl)-3-(propylaminomethyl)pyridin-2-amine
CID 82754864
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
N-(cyclopropylmethyl)-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 62284189

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine (CID 63274618) is 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine is CCCNCc1cc(Br)cnc1N(C)CC1CCN(C)C1.
What is the InChIKey of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
The InChIKey is PWYZFLONSAIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN4/c1-4-6-18-9-14-8-15(17)10-19-16(14)21(3)12-13-5-7-20(2)11-13/h8,10,13,18H,4-7,9,11-12H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine?
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine has a molecular weight of 355.32 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 63274618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).