6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide

C18H24N6O2 — CID 122327671

IUPAC6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H24N6O2/c1-2-26-17-6-5-14(12-21-17)18(25)20-8-7-19-15-11-16(23-13-22-15)24-9-3-4-10-24/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,25)(H,19,22,23)
InChIKeyUUWZKFGRRAIBJS-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.71
Rot. Bonds8

About 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide

6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 122327671) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID122327671
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cn1
InChIInChI=1S/C18H24N6O2/c1-2-26-17-6-5-14(12-21-17)18(25)20-8-7-19-15-11-16(23-13-22-15)24-9-3-4-10-24/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,25)(H,19,22,23)
InChIKeyUUWZKFGRRAIBJS-UHFFFAOYSA-N
XLogP1.71
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122290944
6-ethoxy-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]pyridine-3-carboxamide
CID 122314797
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
6-ethoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122308691
4-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122327670
4-methylsulfanyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328012
4-iodo-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122328145
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122327533
3-methoxy-1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122327582
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]quinoxaline-2-carboxamide
CID 122327585
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide (CID 122327671) is 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCCNc2cc(N3CCCC3)ncn2)cn1.
What is the InChIKey of 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is UUWZKFGRRAIBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-26-17-6-5-14(12-21-17)18(25)20-8-7-19-15-11-16(23-13-22-15)24-9-3-4-10-24/h5-6,11-13H,2-4,7-10H2,1H3,(H,20,25)(H,19,22,23).
What are the key properties of 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide?
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 122327671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).