N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride

C13H21ClN4O2 — CID 3055419

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1cncnc1OC.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-3-17-6-4-5-10(17)7-15-12(18)11-8-14-9-16-13(11)19-2;/h8-10H,3-7H2,1-2H3,(H,15,18);1H
InChIKeyMNQAAQAWDWWNQO-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.12
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride (PubChem CID 3055419) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride
PubChem CID3055419
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride
SMILESCCN1CCCC1CNC(=O)c1cncnc1OC.Cl
InChIInChI=1S/C13H20N4O2.ClH/c1-3-17-6-4-5-10(17)7-15-12(18)11-8-14-9-16-13(11)19-2;/h8-10H,3-7H2,1-2H3,(H,15,18);1H
InChIKeyMNQAAQAWDWWNQO-UHFFFAOYSA-N
XLogP1.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride (CID 3055419) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride is CCN1CCCC1CNC(=O)c1cncnc1OC.Cl.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride?
The InChIKey is MNQAAQAWDWWNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.ClH/c1-3-17-6-4-5-10(17)7-15-12(18)11-8-14-9-16-13(11)19-2;/h8-10H,3-7H2,1-2H3,(H,15,18);1H.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxypyrimidine-5-carboxamide;hydrochloride is sourced from PubChem (CID 3055419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).