N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide

C13H19N5O3 — CID 107434171

IUPACN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H19N5O3/c1-18(2)9-4-5-14-13(21-3)11(9)17-12(20)8-6-16-10(19)7-15-8/h4-5,8,15H,6-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPFGYEBYWBHNJNU-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.82
Rot. Bonds4

About N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide

N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide (PubChem CID 107434171) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
PubChem CID107434171
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide
SMILESCOc1nccc(N(C)C)c1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H19N5O3/c1-18(2)9-4-5-14-13(21-3)11(9)17-12(20)8-6-16-10(19)7-15-8/h4-5,8,15H,6-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyPFGYEBYWBHNJNU-UHFFFAOYSA-N
XLogP-0.82
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213316
N-[5-bromo-2-(dimethylamino)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434603
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
2-cyclopropyl-N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]propanamide
CID 75376281
N-(2,6-diethylphenyl)-5-oxopiperazine-2-carboxamide
CID 107433398
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
1-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-3-(1-hydroxybutan-2-yl)urea
CID 75449648
N-(5-chloro-1,3-benzothiazol-4-yl)-5-oxopiperazine-2-carboxamide
CID 107434143
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide (CID 107434171) is N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide is COc1nccc(N(C)C)c1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide?
The InChIKey is PFGYEBYWBHNJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-18(2)9-4-5-14-13(21-3)11(9)17-12(20)8-6-16-10(19)7-15-8/h4-5,8,15H,6-7H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide?
N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxy-3-pyridinyl]-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).