N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

C22H30N4O — CID 109151851

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C22H30N4O/c1-16(2)14-23-21-9-4-18(15-24-21)22(27)25-19-5-7-20(8-6-19)26-12-10-17(3)11-13-26/h4-9,15-17H,10-14H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyQMZKFCUGDVIYQO-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.64
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 109151851) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID109151851
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCC(C)CNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cn1
InChIInChI=1S/C22H30N4O/c1-16(2)14-23-21-9-4-18(15-24-21)22(27)25-19-5-7-20(8-6-19)26-12-10-17(3)11-13-26/h4-9,15-17H,10-14H2,1-3H3,(H,23,24)(H,25,27)
InChIKeyQMZKFCUGDVIYQO-UHFFFAOYSA-N
XLogP4.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(propylamino)pyridine-3-carboxamide
CID 109151220
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
6-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125219
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(2-methylpropoxy)benzamide
CID 21229720
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109270345
3-N-butan-2-yl-1-N-[4-(4-methylpiperidin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 109051577

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide (CID 109151851) is N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide is CC(C)CNc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cn1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is QMZKFCUGDVIYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16(2)14-23-21-9-4-18(15-24-21)22(27)25-19-5-7-20(8-6-19)26-12-10-17(3)11-13-26/h4-9,15-17H,10-14H2,1-3H3,(H,23,24)(H,25,27).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-6-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109151851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).