3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide

C15H25N3O — CID 81087098

IUPAC3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-4-13(9-16)8-15(19)18(12(2)3)11-14-6-5-7-17-10-14/h5-7,10,12-13H,4,8-9,11,16H2,1-3H3
InChIKeySGWZOBOSSAXGHP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds7

About 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide

3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 81087098) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID81087098
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(CN)CC(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-4-13(9-16)8-15(19)18(12(2)3)11-14-6-5-7-17-10-14/h5-7,10,12-13H,4,8-9,11,16H2,1-3H3
InChIKeySGWZOBOSSAXGHP-UHFFFAOYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
3-(aminomethyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 81071444
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
2-N-propan-2-yl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 112709140
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-2-(prop-2-enylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 79278864

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide (CID 81087098) is 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide is CCC(CN)CC(=O)N(Cc1cccnc1)C(C)C.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is SGWZOBOSSAXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-13(9-16)8-15(19)18(12(2)3)11-14-6-5-7-17-10-14/h5-7,10,12-13H,4,8-9,11,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 81087098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).