6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide

C20H17N7O3 — CID 71283289

IUPAC6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)C(N)=O
InChIInChI=1S/C20H17N7O3/c1-11(18(22)28)25-16-8-15(19(23)29)26-20(27-16)13-3-5-14(6-4-13)30-17-7-2-12(9-21)10-24-17/h2-8,10-11H,1H3,(H2,22,28)(H2,23,29)(H,25,26,27)
InChIKeyGKOYKDVXIOXYFB-UHFFFAOYSA-N
MW403.40 g/mol
LogP1.59
Rot. Bonds7

About 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide

6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide (PubChem CID 71283289) has the molecular formula C20H17N7O3 and a molecular weight of 403.40 g/mol. Its IUPAC name is 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide
PubChem CID71283289
Molecular FormulaC20H17N7O3
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide
SMILESCC(Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)C(N)=O
InChIInChI=1S/C20H17N7O3/c1-11(18(22)28)25-16-8-15(19(23)29)26-20(27-16)13-3-5-14(6-4-13)30-17-7-2-12(9-21)10-24-17/h2-8,10-11H,1H3,(H2,22,28)(H2,23,29)(H,25,26,27)
InChIKeyGKOYKDVXIOXYFB-UHFFFAOYSA-N
XLogP1.59
TPSA169.90 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide (CID 71283289) is 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide is CC(Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C#N)cn3)cc2)n1)C(N)=O.
What is the InChIKey of 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide?
The InChIKey is GKOYKDVXIOXYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O3/c1-11(18(22)28)25-16-8-15(19(23)29)26-20(27-16)13-3-5-14(6-4-13)30-17-7-2-12(9-21)10-24-17/h2-8,10-11H,1H3,(H2,22,28)(H2,23,29)(H,25,26,27).
What are the key properties of 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide?
6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-1-oxopropan-2-yl)amino]-2-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71283289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).