N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide

C19H17ClF3N5O3 — CID 67511375

IUPACN-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(Cl)c2)cc(Nc2ncco2)n1
InChIInChI=1S/C19H17ClF3N5O3/c1-10-5-12(7-15(26-10)28-18-24-3-4-30-18)16(29)27-11(2)13-6-14(20)17(25-8-13)31-9-19(21,22)23/h3-8,11H,9H2,1-2H3,(H,27,29)(H,24,26,28)
InChIKeyAWEMMGJYYWDNIL-UHFFFAOYSA-N
MW455.82 g/mol
LogP4.60
Rot. Bonds7

About N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide

N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide (PubChem CID 67511375) has the molecular formula C19H17ClF3N5O3 and a molecular weight of 455.82 g/mol. Its IUPAC name is N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide
PubChem CID67511375
Molecular FormulaC19H17ClF3N5O3
Molecular Weight455.82 g/mol
Exact Mass455.10
IUPAC NameN-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(Cl)c2)cc(Nc2ncco2)n1
InChIInChI=1S/C19H17ClF3N5O3/c1-10-5-12(7-15(26-10)28-18-24-3-4-30-18)16(29)27-11(2)13-6-14(20)17(25-8-13)31-9-19(21,22)23/h3-8,11H,9H2,1-2H3,(H,27,29)(H,24,26,28)
InChIKeyAWEMMGJYYWDNIL-UHFFFAOYSA-N
XLogP4.60
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.82
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide (CID 67511375) is N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cnc(OCC(F)(F)F)c(Cl)c2)cc(Nc2ncco2)n1.
What is the InChIKey of N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide?
The InChIKey is AWEMMGJYYWDNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N5O3/c1-10-5-12(7-15(26-10)28-18-24-3-4-30-18)16(29)27-11(2)13-6-14(20)17(25-8-13)31-9-19(21,22)23/h3-8,11H,9H2,1-2H3,(H,27,29)(H,24,26,28).
What are the key properties of N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide?
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide has a molecular weight of 455.82 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(1,3-oxazol-2-ylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67511375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).