4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide

C17H16FN7O2 — CID 71245052

IUPAC4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide
SMILESCC(Nc1nc(Nc2ccc[nH]c2=O)ncc1C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C17H16FN7O2/c1-9(12-5-4-10(18)7-21-12)23-15-11(14(19)26)8-22-17(25-15)24-13-3-2-6-20-16(13)27/h2-9H,1H3,(H2,19,26)(H,20,27)(H2,22,23,24,25)
InChIKeyKBAPVLBNJBXVMQ-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.71
Rot. Bonds6

About 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide

4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 71245052) has the molecular formula C17H16FN7O2 and a molecular weight of 369.36 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID71245052
Molecular FormulaC17H16FN7O2
Molecular Weight369.36 g/mol
Exact Mass369.13
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide
SMILESCC(Nc1nc(Nc2ccc[nH]c2=O)ncc1C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C17H16FN7O2/c1-9(12-5-4-10(18)7-21-12)23-15-11(14(19)26)8-22-17(25-15)24-13-3-2-6-20-16(13)27/h2-9H,1H3,(H2,19,26)(H,20,27)(H2,22,23,24,25)
InChIKeyKBAPVLBNJBXVMQ-UHFFFAOYSA-N
XLogP1.71
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide (CID 71245052) is 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide is CC(Nc1nc(Nc2ccc[nH]c2=O)ncc1C(N)=O)c1ccc(F)cn1.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is KBAPVLBNJBXVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O2/c1-9(12-5-4-10(18)7-21-12)23-15-11(14(19)26)8-22-17(25-15)24-13-3-2-6-20-16(13)27/h2-9H,1H3,(H2,19,26)(H,20,27)(H2,22,23,24,25).
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide?
4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 369.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-[(2-oxo-1H-pyridin-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 71245052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).