4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride

C22H26ClN5O3 — CID 54760815

IUPAC4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cc(CN)ccn3)cc2)no1.Cl
InChIInChI=1S/C22H25N5O3.ClH/c1-22(2,3)18-12-19(27-30-18)26-20(28)11-14-4-6-16(7-5-14)25-21(29)17-10-15(13-23)8-9-24-17;/h4-10,12H,11,13,23H2,1-3H3,(H,25,29)(H,26,27,28);1H
InChIKeyUUSOXAGUJMYZJZ-UHFFFAOYSA-N
MW443.94 g/mol
LogP3.68
Rot. Bonds6

About 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride

4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 54760815) has the molecular formula C22H26ClN5O3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
PubChem CID54760815
Molecular FormulaC22H26ClN5O3
Molecular Weight443.94 g/mol
Exact Mass443.17
IUPAC Name4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cc(CN)ccn3)cc2)no1.Cl
InChIInChI=1S/C22H25N5O3.ClH/c1-22(2,3)18-12-19(27-30-18)26-20(28)11-14-4-6-16(7-5-14)25-21(29)17-10-15(13-23)8-9-24-17;/h4-10,12H,11,13,23H2,1-3H3,(H,25,29)(H,26,27,28);1H
InChIKeyUUSOXAGUJMYZJZ-UHFFFAOYSA-N
XLogP3.68
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(4-methylphenyl)benzamide
CID 59420454
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760630
4-(aminomethyl)-N-(4-propylphenyl)pyridine-2-carboxamide
CID 115116947
3-bromo-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]benzamide
CID 59420609
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-6-chloroimidazo[1,2-b]pyridazine-2-carboxamide
CID 59420495
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 54761700
1-[4-[2-[6-(aminomethyl)-2-pyridinyl]-2-oxoethyl]phenyl]-3-(5-tert-butyl-1,2-oxazol-3-yl)urea;hydrochloride
CID 159842441
6-(aminomethyl)-N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]pyridine-2-carboxamide
CID 54760984
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]cyclohexanecarboxamide
CID 59420472
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 59420709
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
CID 54760627

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride (CID 54760815) is 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride is CC(C)(C)c1cc(NC(=O)Cc2ccc(NC(=O)c3cc(CN)ccn3)cc2)no1.Cl.
What is the InChIKey of 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is UUSOXAGUJMYZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3.ClH/c1-22(2,3)18-12-19(27-30-18)26-20(28)11-14-4-6-16(7-5-14)25-21(29)17-10-15(13-23)8-9-24-17;/h4-10,12H,11,13,23H2,1-3H3,(H,25,29)(H,26,27,28);1H.
What are the key properties of 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride?
4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 443.94 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 54760815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).