4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine

C16H27FN4 — CID 105390101

IUPAC4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CCCN2CC)c1F
InChIInChI=1S/C16H27FN4/c1-4-18-11-13-8-9-19-16(15(13)17)20(3)12-14-7-6-10-21(14)5-2/h8-9,14,18H,4-7,10-12H2,1-3H3
InChIKeyORWPLKYFKGFUSG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.25
Rot. Bonds7

About 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine

4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine (PubChem CID 105390101) has the molecular formula C16H27FN4 and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
PubChem CID105390101
Molecular FormulaC16H27FN4
Molecular Weight294.42 g/mol
Exact Mass294.22
IUPAC Name4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
SMILESCCNCc1ccnc(N(C)CC2CCCN2CC)c1F
InChIInChI=1S/C16H27FN4/c1-4-18-11-13-8-9-19-16(15(13)17)20(3)12-14-7-6-10-21(14)5-2/h8-9,14,18H,4-7,10-12H2,1-3H3
InChIKeyORWPLKYFKGFUSG-UHFFFAOYSA-N
XLogP2.25
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 105389860
4-(chloromethyl)-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 105383657
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-methylpyridin-2-amine
CID 105389902
N'-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 105389911
3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79311002
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
N,N-bis(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389989
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
CID 79309782
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105390010
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-3-fluoro-N-propan-2-ylpyridin-2-amine
CID 105389642

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The IUPAC name of 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine (CID 105390101) is 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine is CCNCc1ccnc(N(C)CC2CCCN2CC)c1F.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
The InChIKey is ORWPLKYFKGFUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN4/c1-4-18-11-13-8-9-19-16(15(13)17)20(3)12-14-7-6-10-21(14)5-2/h8-9,14,18H,4-7,10-12H2,1-3H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine?
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine is sourced from PubChem (CID 105390101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).