cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C19H13F3N6O — CID 135345004

IUPACcis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C(F)(F)F)nc(N)c2cn1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)14-1-2-25-7-13(14)15-4-9-5-16(26-8-12(9)17(24)27-15)28-18(29)11-3-10(11)6-23/h1-2,4-5,7-8,10-11H,3H2,(H2,24,27)(H,26,28,29)/t10-,11+/m0/s1
InChIKeyKHONWCIDFZDABC-WDEREUQCSA-N
MW398.35 g/mol
LogP3.39
Rot. Bonds3

About cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 135345004) has the molecular formula C19H13F3N6O and a molecular weight of 398.35 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135345004
Molecular FormulaC19H13F3N6O
Molecular Weight398.35 g/mol
Exact Mass398.11
IUPAC Namecis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C(F)(F)F)nc(N)c2cn1
InChIInChI=1S/C19H13F3N6O/c20-19(21,22)14-1-2-25-7-13(14)15-4-9-5-16(26-8-12(9)17(24)27-15)28-18(29)11-3-10(11)6-23/h1-2,4-5,7-8,10-11H,3H2,(H2,24,27)(H,26,28,29)/t10-,11+/m0/s1
InChIKeyKHONWCIDFZDABC-WDEREUQCSA-N
XLogP3.39
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135345004) is cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3cnccc3C(F)(F)F)nc(N)c2cn1.
What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is KHONWCIDFZDABC-WDEREUQCSA-N. The full InChI is InChI=1S/C19H13F3N6O/c20-19(21,22)14-1-2-25-7-13(14)15-4-9-5-16(26-8-12(9)17(24)27-15)28-18(29)11-3-10(11)6-23/h1-2,4-5,7-8,10-11H,3H2,(H2,24,27)(H,26,28,29)/t10-,11+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 398.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[8-amino-6-[4-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 135345004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).