N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide

C16H25N5O3 — CID 138027773

IUPACN,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide
SMILESCC1CN(CCNC(=O)Nc2ccnc(C(=O)N(C)C)c2)CCO1
InChIInChI=1S/C16H25N5O3/c1-12-11-21(8-9-24-12)7-6-18-16(23)19-13-4-5-17-14(10-13)15(22)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,23)
InChIKeyTXZYYKDEFUKJEH-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.63
Rot. Bonds5

About N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide

N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide (PubChem CID 138027773) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide
PubChem CID138027773
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide
SMILESCC1CN(CCNC(=O)Nc2ccnc(C(=O)N(C)C)c2)CCO1
InChIInChI=1S/C16H25N5O3/c1-12-11-21(8-9-24-12)7-6-18-16(23)19-13-4-5-17-14(10-13)15(22)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,23)
InChIKeyTXZYYKDEFUKJEH-UHFFFAOYSA-N
XLogP0.63
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide (CID 138027773) is N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide is CC1CN(CCNC(=O)Nc2ccnc(C(=O)N(C)C)c2)CCO1.
What is the InChIKey of N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide?
The InChIKey is TXZYYKDEFUKJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-11-21(8-9-24-12)7-6-18-16(23)19-13-4-5-17-14(10-13)15(22)20(2)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,17,18,19,23).
What are the key properties of N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide?
N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(2-methylmorpholin-4-yl)ethylcarbamoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 138027773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).