N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

C18H23N5O — CID 16662686

IUPACN-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C18H23N5O/c1-12-11-23(13(2)9-20-12)17-8-7-14(10-21-17)18(24)22-16-6-4-3-5-15(16)19/h3-8,10,12-13,20H,9,11,19H2,1-2H3,(H,22,24)/t12-,13+/m0/s1
InChIKeyANPNLYORXLWUEY-QWHCGFSZSA-N
MW325.42 g/mol
LogP2.10
Rot. Bonds3

About N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 16662686) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID16662686
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN[C@@H](C)CN1c1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C18H23N5O/c1-12-11-23(13(2)9-20-12)17-8-7-14(10-21-17)18(24)22-16-6-4-3-5-15(16)19/h3-8,10,12-13,20H,9,11,19H2,1-2H3,(H,22,24)/t12-,13+/m0/s1
InChIKeyANPNLYORXLWUEY-QWHCGFSZSA-N
XLogP2.10
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide (CID 16662686) is N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN[C@@H](C)CN1c1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ANPNLYORXLWUEY-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12-11-23(13(2)9-20-12)17-8-7-14(10-21-17)18(24)22-16-6-4-3-5-15(16)19/h3-8,10,12-13,20H,9,11,19H2,1-2H3,(H,22,24)/t12-,13+/m0/s1.
What are the key properties of N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(2R,5S)-2,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 16662686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).