N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

C17H21N5O — CID 91675849

IUPACN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1
InChIInChI=1S/C17H21N5O/c1-21-8-10-22(11-9-21)16-3-2-14(18)12-15(16)20-17(23)13-4-6-19-7-5-13/h2-7,12H,8-11,18H2,1H3,(H,20,23)
InChIKeyVTYUXLJUNRACHQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.67
Rot. Bonds3

About N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 91675849) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID91675849
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESCN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1
InChIInChI=1S/C17H21N5O/c1-21-8-10-22(11-9-21)16-3-2-14(18)12-15(16)20-17(23)13-4-6-19-7-5-13/h2-7,12H,8-11,18H2,1H3,(H,20,23)
InChIKeyVTYUXLJUNRACHQ-UHFFFAOYSA-N
XLogP1.67
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propan-2-yloxybenzamide
CID 91675880
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 91675846
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propoxybenzamide
CID 91675876
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125
methyl 3-benzamido-4-(4-methylpiperazin-1-yl)benzoate
CID 6457150
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 55788275
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
methyl 3-[(4-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6456963
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (CID 91675849) is N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is CN1CCN(c2ccc(N)cc2NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is VTYUXLJUNRACHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-8-10-22(11-9-21)16-3-2-14(18)12-15(16)20-17(23)13-4-6-19-7-5-13/h2-7,12H,8-11,18H2,1H3,(H,20,23).
What are the key properties of N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91675849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).