N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

C19H25N5O2 — CID 3055407

IUPACN-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C19H25N5O2/c1-20-19-21-12-16(18(23-19)26-2)17(25)22-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyAJDBNAMXYHPCQL-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.92
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide

N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide (PubChem CID 3055407) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
PubChem CID3055407
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide
SMILESCNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C19H25N5O2/c1-20-19-21-12-16(18(23-19)26-2)17(25)22-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyAJDBNAMXYHPCQL-UHFFFAOYSA-N
XLogP1.92
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide (CID 3055407) is N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide is CNc1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(OC)n1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
The InChIKey is AJDBNAMXYHPCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-20-19-21-12-16(18(23-19)26-2)17(25)22-15-8-10-24(11-9-15)13-14-6-4-3-5-7-14/h3-7,12,15H,8-11,13H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methoxy-2-(methylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 3055407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).