[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone

C16H18FN3O2 — CID 123175319

IUPAC[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone
SMILESCCC(N)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F
InChIInChI=1S/C16H18FN3O2/c1-3-11(18)10-5-6-12(22-2)14(15(10)17)16(21)9-4-7-13(19)20-8-9/h4-8,11H,3,18H2,1-2H3,(H2,19,20)
InChIKeyWSBCAHLRCCRDNH-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.45
Rot. Bonds5

About [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone

[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone (PubChem CID 123175319) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone
PubChem CID123175319
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone
SMILESCCC(N)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F
InChIInChI=1S/C16H18FN3O2/c1-3-11(18)10-5-6-12(22-2)14(15(10)17)16(21)9-4-7-13(19)20-8-9/h4-8,11H,3,18H2,1-2H3,(H2,19,20)
InChIKeyWSBCAHLRCCRDNH-UHFFFAOYSA-N
XLogP2.45
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-amino-3-pyridinyl)methanone;hydrochloride
CID 140666617
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(6-methylsulfanyl-3-pyridinyl)methanone
CID 142721065
tert-butyl N-[(1R)-1-[2-fluoro-4-methoxy-3-[6-[2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-3-carbonyl]phenyl]propyl]carbamate
CID 142721066
[3-[(1R)-1-aminopropyl]-6-chloro-2-fluorophenyl]-(5-amino-3-pyridinyl)methanone;molecular hydrogen
CID 158049946
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
4-amino-4-(4-ethoxy-2,3-difluorophenyl)butanoic acid
CID 117401243
methyl 3-(6-amino-3-pyridinyl)-3-oxopropanoate
CID 98011582
3-[[[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]-cyclopropylmethyl]amino]butanamide
CID 78116848
6-amino-N-butan-2-ylpyridine-3-carboxamide
CID 62072773
acetyl (2S)-2-hydroxy-2-phenylacetate;(3S)-3-[[(1R)-1-[3-(6-aminopyridine-3-carbonyl)-4-chloro-2-fluorophenyl]propyl]amino]butanamide
CID 131733522
5-[(1S)-1-aminopropyl]pyridin-2-amine
CID 124502752

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone?
The IUPAC name of [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone (CID 123175319) is [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone.
What is the SMILES notation for [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone?
The canonical SMILES for [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone is CCC(N)c1ccc(OC)c(C(=O)c2ccc(N)nc2)c1F.
What is the InChIKey of [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone?
The InChIKey is WSBCAHLRCCRDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-3-11(18)10-5-6-12(22-2)14(15(10)17)16(21)9-4-7-13(19)20-8-9/h4-8,11H,3,18H2,1-2H3,(H2,19,20).
What are the key properties of [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone?
[3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone has a molecular weight of 303.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminopropyl)-2-fluoro-6-methoxyphenyl]-(6-amino-3-pyridinyl)methanone is sourced from PubChem (CID 123175319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).