N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide

C17H22N6O — CID 110178200

IUPACN-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccccc2Nc2ccc(N)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-10-23(11-9-22)17(24)21-15-5-3-2-4-14(15)20-16-7-6-13(18)12-19-16/h2-7,12H,8-11,18H2,1H3,(H,19,20)(H,21,24)
InChIKeyHJTOGTXBLHMCAD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.19
Rot. Bonds3

About N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide

N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide (PubChem CID 110178200) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
PubChem CID110178200
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2ccccc2Nc2ccc(N)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-10-23(11-9-22)17(24)21-15-5-3-2-4-14(15)20-16-7-6-13(18)12-19-16/h2-7,12H,8-11,18H2,1H3,(H,19,20)(H,21,24)
InChIKeyHJTOGTXBLHMCAD-UHFFFAOYSA-N
XLogP2.19
TPSA86.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
3-[(4-methylpiperazine-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 113447866
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
4-methyl-N-[2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]phenyl]piperazine-1-carboxamide
CID 13178286
[5-(2-chloroanilino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278166
N-(3-bromo-2-methylphenyl)-4-methylpiperazine-1-carboxamide
CID 11507872
4-methyl-N-[2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]phenyl]piperazine-1-carboxamide
CID 22985671
N-[2-[(3,5-ditert-butyl-4-hydroxybenzoyl)amino]phenyl]-4-methylpiperazine-1-carboxamide
CID 23370068
2-(4-aminophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 54795789
(Z)-but-2-enedioic acid;N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 70406277
4-methyl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 3370606

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide (CID 110178200) is N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)Nc2ccccc2Nc2ccc(N)cn2)CC1.
What is the InChIKey of N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is HJTOGTXBLHMCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-8-10-23(11-9-22)17(24)21-15-5-3-2-4-14(15)20-16-7-6-13(18)12-19-16/h2-7,12H,8-11,18H2,1H3,(H,19,20)(H,21,24).
What are the key properties of N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide?
N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-2-pyridinyl)amino]phenyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 110178200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).