N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

C18H23N5O — CID 91675846

IUPACN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17-6-5-15(19)12-16(17)21-18(24)14-4-3-7-20-13-14/h3-7,12-13H,2,8-11,19H2,1H3,(H,21,24)
InChIKeyYVYYFGOGZPOYAZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.06
Rot. Bonds4

About N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide

N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 91675846) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID91675846
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17-6-5-15(19)12-16(17)21-18(24)14-4-3-7-20-13-14/h3-7,12-13H,2,8-11,19H2,1H3,(H,21,24)
InChIKeyYVYYFGOGZPOYAZ-UHFFFAOYSA-N
XLogP2.06
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.06
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-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 91675791
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
N-[2-(azepan-1-yl)phenyl]pyridine-3-carboxamide
CID 38282179
5-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-methylbenzamide
CID 120647841
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
N-[5-amino-2-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 91675954
N-[2-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 4538085
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 18190160
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
CID 91675315
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide (CID 91675846) is N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is CCN1CCN(c2ccc(N)cc2NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is YVYYFGOGZPOYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-22-8-10-23(11-9-22)17-6-5-15(19)12-16(17)21-18(24)14-4-3-7-20-13-14/h3-7,12-13H,2,8-11,19H2,1H3,(H,21,24).
What are the key properties of N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide?
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.06, 4 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-ethylpiperazin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).