4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide

C18H22N4O — CID 133470712

IUPAC4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(c1ccccc1)C1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C18H22N4O/c1-21(14-5-3-2-4-6-14)15-8-11-22(12-9-15)17-7-10-20-13-16(17)18(19)23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H2,19,23)
InChIKeyFFJLCICRGRWZBI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.29
Rot. Bonds4

About 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide

4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 133470712) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID133470712
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide
SMILESCN(c1ccccc1)C1CCN(c2ccncc2C(N)=O)CC1
InChIInChI=1S/C18H22N4O/c1-21(14-5-3-2-4-6-14)15-8-11-22(12-9-15)17-7-10-20-13-16(17)18(19)23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H2,19,23)
InChIKeyFFJLCICRGRWZBI-UHFFFAOYSA-N
XLogP2.29
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide (CID 133470712) is 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide is CN(c1ccccc1)C1CCN(c2ccncc2C(N)=O)CC1.
What is the InChIKey of 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FFJLCICRGRWZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(14-5-3-2-4-6-14)15-8-11-22(12-9-15)17-7-10-20-13-16(17)18(19)23/h2-7,10,13,15H,8-9,11-12H2,1H3,(H2,19,23).
What are the key properties of 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide?
4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-methylanilino)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133470712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).