5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide

C13H20N4O2 — CID 115355859

IUPAC5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)8-16-12(19)10-5-4-9(6-14)7-15-10/h4-5,7H,6,8,14H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYQRKNZAWLDUAKE-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.18
Rot. Bonds4

About 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide

5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 115355859) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID115355859
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(CN)cn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)8-16-12(19)10-5-4-9(6-14)7-15-10/h4-5,7H,6,8,14H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYQRKNZAWLDUAKE-UHFFFAOYSA-N
XLogP0.18
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 63724390
5-(aminomethyl)-N-(2,3,3-trimethylbutyl)pyridine-2-carboxamide
CID 83142698
5-(aminomethyl)-N-benzylpyridine-2-carboxamide
CID 55230776
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 113293311
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-(aminomethyl)-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63723354
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 63722358
5-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-2-carboxamide
CID 79351403
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
5-(aminomethyl)-N-(3-cyclopentylpropyl)pyridine-2-carboxamide
CID 106016244
5-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-2-carboxamide
CID 79384484
5-(aminomethyl)-N-[2-(5-methylfuran-2-yl)ethyl]pyridine-2-carboxamide
CID 115116752

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide (CID 115355859) is 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(CN)cn1.
What is the InChIKey of 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is YQRKNZAWLDUAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)17-11(18)8-16-12(19)10-5-4-9(6-14)7-15-10/h4-5,7H,6,8,14H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide?
5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 115355859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).