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

C20H26N4O — CID 110299291

IUPAC2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-15-10-13-24(14-11-15)17-8-6-16(7-9-17)22-20(25)18-5-4-12-21-19(18)23(2)3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyNWDWXXRZSGZXIV-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.64
Rot. Bonds4

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

2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 110299291) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID110299291
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-15-10-13-24(14-11-15)17-8-6-16(7-9-17)22-20(25)18-5-4-12-21-19(18)23(2)3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyNWDWXXRZSGZXIV-UHFFFAOYSA-N
XLogP3.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
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-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 110302012
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795
2-(dimethylamino)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyridine-3-carboxamide
CID 110617692
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 60609243
2-(dimethylamino)-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 38936617
2-iodo-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559405

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide (CID 110299291) is 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide is CC1CCN(c2ccc(NC(=O)c3cccnc3N(C)C)cc2)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is NWDWXXRZSGZXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-10-13-24(14-11-15)17-8-6-16(7-9-17)22-20(25)18-5-4-12-21-19(18)23(2)3/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 110299291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).