N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane

C23H30N6O — CID 144889148

IUPACN,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)c1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C21H24N6O.C2H6/c1-5-27(6-2)21(28)18-11-17(13-24-14(18)3)16-7-9-23-20(12-16)26-19-8-10-22-15(4)25-19;1-2/h7-13H,5-6H2,1-4H3,(H,22,23,25,26);1-2H3
InChIKeyNECOAZWOSKXZEW-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.80
Rot. Bonds6

About N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane

N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane (PubChem CID 144889148) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane
PubChem CID144889148
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)c1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C
InChIInChI=1S/C21H24N6O.C2H6/c1-5-27(6-2)21(28)18-11-17(13-24-14(18)3)16-7-9-23-20(12-16)26-19-8-10-22-15(4)25-19;1-2/h7-13H,5-6H2,1-4H3,(H,22,23,25,26);1-2H3
InChIKeyNECOAZWOSKXZEW-UHFFFAOYSA-N
XLogP4.80
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane?
The IUPAC name of N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane (CID 144889148) is N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane is CC.CCN(CC)C(=O)c1cc(-c2ccnc(Nc3ccnc(C)n3)c2)cnc1C.
What is the InChIKey of N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane?
The InChIKey is NECOAZWOSKXZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.C2H6/c1-5-27(6-2)21(28)18-11-17(13-24-14(18)3)16-7-9-23-20(12-16)26-19-8-10-22-15(4)25-19;1-2/h7-13H,5-6H2,1-4H3,(H,22,23,25,26);1-2H3.
What are the key properties of N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane?
N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane has a molecular weight of 406.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methyl-5-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 144889148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).