N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C22H31N5O — CID 46989665

IUPACN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3
InChIKeyDMABXVPQRKUSPX-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 46989665) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID46989665
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3
InChIKeyDMABXVPQRKUSPX-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 46989665) is N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccccc1CN(CCN(C)C)C(=O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is DMABXVPQRKUSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-18-7-4-5-8-20(18)17-27(16-15-25(2)3)21(28)19-9-13-26(14-10-19)22-23-11-6-12-24-22/h4-8,11-12,19H,9-10,13-17H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46989665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).