N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide

C22H22FN5O2 — CID 138589491

IUPACN-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)cnc2cn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C22H22FN5O2/c23-18-6-17(10-24-12-18)16-5-14-9-21(26-13-20(14)25-11-16)27-22(29)15-7-19(8-15)28-1-3-30-4-2-28/h5-6,9-13,15,19H,1-4,7-8H2,(H,26,27,29)
InChIKeyZDOGPICAPFGJPN-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.88
Rot. Bonds4

About N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide

N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide (PubChem CID 138589491) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
PubChem CID138589491
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)cnc2cn1)C1CC(N2CCOCC2)C1
InChIInChI=1S/C22H22FN5O2/c23-18-6-17(10-24-12-18)16-5-14-9-21(26-13-20(14)25-11-16)27-22(29)15-7-19(8-15)28-1-3-30-4-2-28/h5-6,9-13,15,19H,1-4,7-8H2,(H,26,27,29)
InChIKeyZDOGPICAPFGJPN-UHFFFAOYSA-N
XLogP2.88
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide?
The IUPAC name of N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide (CID 138589491) is N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide?
The canonical SMILES for N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide is O=C(Nc1cc2cc(-c3cncc(F)c3)cnc2cn1)C1CC(N2CCOCC2)C1.
What is the InChIKey of N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide?
The InChIKey is ZDOGPICAPFGJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-18-6-17(10-24-12-18)16-5-14-9-21(26-13-20(14)25-11-16)27-22(29)15-7-19(8-15)28-1-3-30-4-2-28/h5-6,9-13,15,19H,1-4,7-8H2,(H,26,27,29).
What are the key properties of N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide?
N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-fluoro-3-pyridinyl)-1,7-naphthyridin-6-yl]-3-morpholin-4-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 138589491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).