N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide

C20H32N4O — CID 56744799

IUPACN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1nccc(CN2CCC(CNC(=O)C3CCC(C)CC3)C2)n1
InChIInChI=1S/C20H32N4O/c1-3-19-21-10-8-18(23-19)14-24-11-9-16(13-24)12-22-20(25)17-6-4-15(2)5-7-17/h8,10,15-17H,3-7,9,11-14H2,1-2H3,(H,22,25)
InChIKeyWKPLLOMAQGNSAH-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.80
Rot. Bonds6

About N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide

N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 56744799) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide
PubChem CID56744799
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide
SMILESCCc1nccc(CN2CCC(CNC(=O)C3CCC(C)CC3)C2)n1
InChIInChI=1S/C20H32N4O/c1-3-19-21-10-8-18(23-19)14-24-11-9-16(13-24)12-22-20(25)17-6-4-15(2)5-7-17/h8,10,15-17H,3-7,9,11-14H2,1-2H3,(H,22,25)
InChIKeyWKPLLOMAQGNSAH-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide (CID 56744799) is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide is CCc1nccc(CN2CCC(CNC(=O)C3CCC(C)CC3)C2)n1.
What is the InChIKey of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is WKPLLOMAQGNSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-19-21-10-8-18(23-19)14-24-11-9-16(13-24)12-22-20(25)17-6-4-15(2)5-7-17/h8,10,15-17H,3-7,9,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide?
N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 56744799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).