3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide

C15H21N5O — CID 81070893

IUPAC3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H21N5O/c1-3-12(10-16)9-14(21)19-13-5-4-6-18-15(13)20-8-7-17-11(20)2/h4-8,12H,3,9-10,16H2,1-2H3,(H,19,21)
InChIKeyRKQJADNQEUMCOX-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.89
Rot. Bonds6

About 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide

3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide (PubChem CID 81070893) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
PubChem CID81070893
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C15H21N5O/c1-3-12(10-16)9-14(21)19-13-5-4-6-18-15(13)20-8-7-17-11(20)2/h4-8,12H,3,9-10,16H2,1-2H3,(H,19,21)
InChIKeyRKQJADNQEUMCOX-UHFFFAOYSA-N
XLogP1.89
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide (CID 81070893) is 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide is CCC(CN)CC(=O)Nc1cccnc1-n1ccnc1C.
What is the InChIKey of 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
The InChIKey is RKQJADNQEUMCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-12(10-16)9-14(21)19-13-5-4-6-18-15(13)20-8-7-17-11(20)2/h4-8,12H,3,9-10,16H2,1-2H3,(H,19,21).
What are the key properties of 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide?
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide is sourced from PubChem (CID 81070893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).