N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride

C18H23ClN4O2 — CID 120619642

IUPACN-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-12(2)18(24)22-15-6-3-13(4-7-15)10-21-17(23)9-16-8-5-14(19)11-20-16;/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyPYBWPPONVXVLBQ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.54
Rot. Bonds6

About N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride

N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 120619642) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID120619642
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(N)cn2)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-12(2)18(24)22-15-6-3-13(4-7-15)10-21-17(23)9-16-8-5-14(19)11-20-16;/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyPYBWPPONVXVLBQ-UHFFFAOYSA-N
XLogP2.54
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
2-(5-amino-2-pyridinyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 120618498
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
2-(5-amino-2-pyridinyl)-N-(2,2-difluoroethyl)acetamide;hydrochloride
CID 120632231
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
CID 120619858

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride (CID 120619642) is N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(N)cn2)cc1.Cl.
What is the InChIKey of N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is PYBWPPONVXVLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-12(2)18(24)22-15-6-3-13(4-7-15)10-21-17(23)9-16-8-5-14(19)11-20-16;/h3-8,11-12H,9-10,19H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride?
N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 120619642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).