N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C18H29N5O2 — CID 137077057

IUPACN-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCCC(CNC(=O)C3CCCN3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-2-14-9-17(24)22-16(21-14)12-23-8-4-5-13(11-23)10-20-18(25)15-6-3-7-19-15/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyVHFVIHORGTYTFQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.41
Rot. Bonds6

About N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 137077057) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID137077057
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCCc1cc(=O)[nH]c(CN2CCCC(CNC(=O)C3CCCN3)C2)n1
InChIInChI=1S/C18H29N5O2/c1-2-14-9-17(24)22-16(21-14)12-23-8-4-5-13(11-23)10-20-18(25)15-6-3-7-19-15/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyVHFVIHORGTYTFQ-UHFFFAOYSA-N
XLogP0.41
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]propanamide
CID 136667317
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843187
N-[[1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843128
N-[[1-[(4-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843208
N-[[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120843136
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843147
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
(2R)-N-[[(3R)-1-[[2-(4-chlorophenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 98887072
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 137077057) is N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is CCc1cc(=O)[nH]c(CN2CCCC(CNC(=O)C3CCCN3)C2)n1.
What is the InChIKey of N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VHFVIHORGTYTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-2-14-9-17(24)22-16(21-14)12-23-8-4-5-13(11-23)10-20-18(25)15-6-3-7-19-15/h9,13,15,19H,2-8,10-12H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 137077057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).