N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide

C24H27N5O2 — CID 25256781

IUPACN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-17-7-11-27-23(15-17)29(24(30)18-3-5-21(31-2)6-4-18)20-9-13-28(14-10-20)22-16-19(25)8-12-26-22/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H2,25,26)
InChIKeyRXSWEDMCSMQRSX-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide

N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide (PubChem CID 25256781) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide
PubChem CID25256781
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-17-7-11-27-23(15-17)29(24(30)18-3-5-21(31-2)6-4-18)20-9-13-28(14-10-20)22-16-19(25)8-12-26-22/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H2,25,26)
InChIKeyRXSWEDMCSMQRSX-UHFFFAOYSA-N
XLogP3.69
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide (CID 25256781) is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)N(c2cc(C)ccn2)C2CCN(c3cc(N)ccn3)CC2)cc1.
What is the InChIKey of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
The InChIKey is RXSWEDMCSMQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-7-11-27-23(15-17)29(24(30)18-3-5-21(31-2)6-4-18)20-9-13-28(14-10-20)22-16-19(25)8-12-26-22/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H2,25,26).
What are the key properties of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide?
N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-4-methoxy-N-(4-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 25256781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).