N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide

C17H21N5O — CID 56706015

IUPACN-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide
SMILESCCc1ncc2c(n1)CN(c1ccc(C(=O)N(C)CC)cn1)C2
InChIInChI=1S/C17H21N5O/c1-4-15-18-9-13-10-22(11-14(13)20-15)16-7-6-12(8-19-16)17(23)21(3)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyQMDUBOIQOGCGMT-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.05
Rot. Bonds4

About N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide

N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide (PubChem CID 56706015) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide
PubChem CID56706015
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide
SMILESCCc1ncc2c(n1)CN(c1ccc(C(=O)N(C)CC)cn1)C2
InChIInChI=1S/C17H21N5O/c1-4-15-18-9-13-10-22(11-14(13)20-15)16-7-6-12(8-19-16)17(23)21(3)5-2/h6-9H,4-5,10-11H2,1-3H3
InChIKeyQMDUBOIQOGCGMT-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide (CID 56706015) is N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide is CCc1ncc2c(n1)CN(c1ccc(C(=O)N(C)CC)cn1)C2.
What is the InChIKey of N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is QMDUBOIQOGCGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-4-15-18-9-13-10-22(11-14(13)20-15)16-7-6-12(8-19-16)17(23)21(3)5-2/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide?
N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 56706015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).