4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride

C18H23ClN4O2 — CID 120619858

IUPAC4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-18(2,3)22-17(24)12-4-7-14(8-5-12)21-16(23)10-15-9-6-13(19)11-20-15;/h4-9,11H,10,19H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyQSNRFOCFXRJKGE-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.80
Rot. Bonds4

About 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride (PubChem CID 120619858) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
PubChem CID120619858
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
SMILESCC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-18(2,3)22-17(24)12-4-7-14(8-5-12)21-16(23)10-15-9-6-13(19)11-20-15;/h4-9,11H,10,19H2,1-3H3,(H,21,23)(H,22,24);1H
InChIKeyQSNRFOCFXRJKGE-UHFFFAOYSA-N
XLogP2.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-(5-amino-2-pyridinyl)-N-tert-butylacetamide
CID 107337327
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-(5-amino-2-pyridinyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 107339002
2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-2-methylpropanamide
CID 107338248
N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 120619642
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(2-cyano-2-methylpropyl)acetamide
CID 107339707

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride (CID 120619858) is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride is CC(C)(C)NC(=O)c1ccc(NC(=O)Cc2ccc(N)cn2)cc1.Cl.
What is the InChIKey of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride?
The InChIKey is QSNRFOCFXRJKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-18(2,3)22-17(24)12-4-7-14(8-5-12)21-16(23)10-15-9-6-13(19)11-20-15;/h4-9,11H,10,19H2,1-3H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride?
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride is sourced from PubChem (CID 120619858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).