1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one

C15H18N2O2 — CID 112583562

IUPAC1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C15H18N2O2/c1-4-15(18)14-6-5-13(9-16-14)17(3)10-12-7-8-19-11(12)2/h5-9H,4,10H2,1-3H3
InChIKeyRRVJTNSSTJOWKJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds5

About 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one

1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one (PubChem CID 112583562) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
PubChem CID112583562
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N(C)Cc2ccoc2C)cn1
InChIInChI=1S/C15H18N2O2/c1-4-15(18)14-6-5-13(9-16-14)17(3)10-12-7-8-19-11(12)2/h5-9H,4,10H2,1-3H3
InChIKeyRRVJTNSSTJOWKJ-UHFFFAOYSA-N
XLogP3.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 112584270
N-methyl-6-[1-(methylamino)propyl]-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 115939341
5-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 107253049
1-[5-(dipropylamino)-2-pyridinyl]propan-1-one
CID 112583475
1-[5-(4-ethyl-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938975
6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 66457051
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazin-2-yl]methanol
CID 107372750
5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
CID 80730662
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
1-[5-[cyclopropyl(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-one
CID 112583682

Frequently Asked Questions

What is the IUPAC name of 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one (CID 112583562) is 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(N(C)Cc2ccoc2C)cn1.
What is the InChIKey of 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one?
The InChIKey is RRVJTNSSTJOWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-15(18)14-6-5-13(9-16-14)17(3)10-12-7-8-19-11(12)2/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one?
1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).