N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide

C15H23N3O — CID 115271554

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide
SMILESCNCC1(CNC(=O)CCCc2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(7-8-15)12-18-14(19)6-2-4-13-5-3-9-17-10-13/h3,5,9-10,16H,2,4,6-8,11-12H2,1H3,(H,18,19)
InChIKeyBDWYJVRTVOSVPT-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds8

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide (PubChem CID 115271554) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide
PubChem CID115271554
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide
SMILESCNCC1(CNC(=O)CCCc2cccnc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-11-15(7-8-15)12-18-14(19)6-2-4-13-5-3-9-17-10-13/h3,5,9-10,16H,2,4,6-8,11-12H2,1H3,(H,18,19)
InChIKeyBDWYJVRTVOSVPT-UHFFFAOYSA-N
XLogP1.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-thiophen-2-ylbutanamide
CID 115271547
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-4-phenylbutanamide
CID 114758855
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide (CID 115271554) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide is CNCC1(CNC(=O)CCCc2cccnc2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide?
The InChIKey is BDWYJVRTVOSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-11-15(7-8-15)12-18-14(19)6-2-4-13-5-3-9-17-10-13/h3,5,9-10,16H,2,4,6-8,11-12H2,1H3,(H,18,19).
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 115271554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).