N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide

C19H25N5O — CID 16662688

IUPACN-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1
InChIInChI=1S/C19H25N5O/c1-13(2)17-12-24(10-9-21-17)18-8-7-14(11-22-18)19(25)23-16-6-4-3-5-15(16)20/h3-8,11,13,17,21H,9-10,12,20H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeySHBXKOTUHGTWFH-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.35
Rot. Bonds4

About N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 16662688) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID16662688
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCC(C)[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1
InChIInChI=1S/C19H25N5O/c1-13(2)17-12-24(10-9-21-17)18-8-7-14(11-22-18)19(25)23-16-6-4-3-5-15(16)20/h3-8,11,13,17,21H,9-10,12,20H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeySHBXKOTUHGTWFH-QGZVFWFLSA-N
XLogP2.35
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.35
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-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide (CID 16662688) is N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide is CC(C)[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1.
What is the InChIKey of N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SHBXKOTUHGTWFH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)17-12-24(10-9-21-17)18-8-7-14(11-22-18)19(25)23-16-6-4-3-5-15(16)20/h3-8,11,13,17,21H,9-10,12,20H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 16662688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).