2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide

C20H27N5O — CID 72873385

IUPAC2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-3-21-19-22-13-16(14-23-19)18(26)24-15-20(9-11-25(2)12-10-20)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyRBERDWQTFLRRDV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.30
Rot. Bonds6

About 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide (PubChem CID 72873385) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
PubChem CID72873385
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-3-21-19-22-13-16(14-23-19)18(26)24-15-20(9-11-25(2)12-10-20)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyRBERDWQTFLRRDV-UHFFFAOYSA-N
XLogP2.30
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
2-ethoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]propanamide
CID 119069555
2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159705164
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
butane;formaldehyde;N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 143049208
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-2-(ethylamino)pyrimidine-5-carboxamide
CID 97148333
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
3-amino-4-chloro-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91769760
2-(ethylamino)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrimidine-5-carboxamide
CID 72843561
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
5,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 46462401
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide (CID 72873385) is 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NCC2(c3ccccc3)CCN(C)CC2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RBERDWQTFLRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-21-19-22-13-16(14-23-19)18(26)24-15-20(9-11-25(2)12-10-20)17-7-5-4-6-8-17/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72873385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).