N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide

C18H22N6O2 — CID 167809482

IUPACN-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide
SMILESNc1ccc(CC(=O)Nc2cccc(NC(=O)N3CCNCC3)c2)nc1
InChIInChI=1S/C18H22N6O2/c19-13-4-5-14(21-12-13)11-17(25)22-15-2-1-3-16(10-15)23-18(26)24-8-6-20-7-9-24/h1-5,10,12,20H,6-9,11,19H2,(H,22,25)(H,23,26)
InChIKeyBNZALHQMIFHMNV-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.28
Rot. Bonds4

About N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide

N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide (PubChem CID 167809482) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide
PubChem CID167809482
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide
SMILESNc1ccc(CC(=O)Nc2cccc(NC(=O)N3CCNCC3)c2)nc1
InChIInChI=1S/C18H22N6O2/c19-13-4-5-14(21-12-13)11-17(25)22-15-2-1-3-16(10-15)23-18(26)24-8-6-20-7-9-24/h1-5,10,12,20H,6-9,11,19H2,(H,22,25)(H,23,26)
InChIKeyBNZALHQMIFHMNV-UHFFFAOYSA-N
XLogP1.28
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 120644181
2-(5-amino-2-pyridinyl)-N-(3-pyrrolidin-1-ylphenyl)acetamide;dihydrochloride
CID 120644180
2-(5-amino-2-pyridinyl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 107337793
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 120621270
2-(5-amino-2-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 107339031
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694
2-(5-amino-2-pyridinyl)-N-(2,6-diethylphenyl)acetamide
CID 107337372
2-(5-amino-2-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 107337469
2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 107337386

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide (CID 167809482) is N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide is Nc1ccc(CC(=O)Nc2cccc(NC(=O)N3CCNCC3)c2)nc1.
What is the InChIKey of N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide?
The InChIKey is BNZALHQMIFHMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-13-4-5-14(21-12-13)11-17(25)22-15-2-1-3-16(10-15)23-18(26)24-8-6-20-7-9-24/h1-5,10,12,20H,6-9,11,19H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide?
N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 167809482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).